This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Luteolin
DrugBank Accession Number
DB15584
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Weight
Average: 286.2363
Monoisotopic: 286.047738052
Chemical Formula
C15H10O6
Synonyms
  • Digitoflavone
  • Flacitran
  • Luteoline
  • Luteolol
  • Salifazide
External IDs
  • C.I. Natural Yellow 2

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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Improve decision support & research outcomes with our structured adverse effects data.
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
KUX1ZNC9J2
CAS number
491-70-3
InChI Key
IQPNAANSBPBGFQ-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
IUPAC Name
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
SMILES
OC1=CC(O)=C2C(=O)C=C(OC2=C1)C1=CC=C(O)C(O)=C1

References

General References
Not Available
Human Metabolome Database
HMDB0005800
KEGG Compound
C01514
ChemSpider
4444102
BindingDB
7459
ChEBI
15864
ChEMBL
CHEMBL151
ZINC
ZINC000018185774
PDBe Ligand
LU2
Wikipedia
Luteolin
PDB Entries
3sz1 / 4dew / 4dgn / 4hkn / 4qxv / 4qya / 5auu / 5ii2 / 5ndf / 6m8a
show 3 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Unknown StatusTreatmentCarcinoma / Tongue Neoplasms1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.138 mg/mLALOGPS
logP2.73ALOGPS
logP2.4ChemAxon
logS-3.3ALOGPS
pKa (Strongest Acidic)6.57ChemAxon
pKa (Strongest Basic)-5.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area107.22 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity74.89 m3·mol-1ChemAxon
Polarizability27.73 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-MS (4 TMS)GC-MSsplash10-0bt9-0000190000-f355e064b0e4a8fee2a8
GC-MS Spectrum - GC-MSGC-MSsplash10-0bt9-0001290000-3a6e4f4a889b4b595e3e
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - GC-MSGC-MSsplash10-0bt9-0000190000-f355e064b0e4a8fee2a8
GC-MS Spectrum - GC-MSGC-MSsplash10-0bt9-0001290000-3a6e4f4a889b4b595e3e
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00dj-1735900000-66504e5cc81bcf3dd0a2
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 5V, PositiveLC-MS/MSsplash10-000i-0090000000-c8d8c5048f03b4f9ad5e
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , NegativeLC-MS/MSsplash10-000i-0490000000-b23f87f7af1af38d9686
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-0f79-1940000000-006d75dee56e7481a44f
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-000i-0290000000-e0e08b588cde4ec7d7c8
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , PositiveLC-MS/MSsplash10-000i-0190000000-f142e0417f0f94a4623b
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, PositiveLC-MS/MSsplash10-0f79-1920000000-42c47240052ab59116f7
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) , NegativeLC-MS/MSsplash10-000i-0690000000-74dbeef56be77f266f6e
LC-MS/MS Spectrum - LC-ESI-QTOF (UPLC Q-Tof Premier, Waters) 30V, NegativeLC-MS/MSsplash10-001i-0900000000-4b5589ca157de0b5885b
LC-MS/MS Spectrum - LC-ESI-ITTOF (LCMS-IT-TOF) , PositiveLC-MS/MSsplash10-000i-0090000000-7b507d1551bc27fa6952
LC-MS/MS Spectrum - LC-ESI-ITTOF (LCMS-IT-TOF) , NegativeLC-MS/MSsplash10-0079-0090080000-787383a28d957fc65a9e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-1682faadbefced000a71
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-fd32d917fb0b393a99aa
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-1000-5690000000-407bf2d6b008427648fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-c5cbc6ffe79c8cd57604
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0090000000-147d7dcca6436066ce44
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxu-4960000000-ee3c93ba84300846c333
MS/MS Spectrum - ESI-TOF , NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 30V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF , NegativeLC-MS/MSNot Available
MS/MS Spectrum - ESI-TOF 30V, NegativeLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , NegativeLC-MS/MSNot Available
MS/MS Spectrum - DI-ESI-qTof , PositiveLC-MS/MSNot Available
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-000i-0490000000-b23f87f7af1af38d9686
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-000i-0690000000-4135ff68dafc65e9f339
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-001i-0900000000-4b5589ca157de0b5885b
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-000i-0090000000-568d5c1e3df3c5693fb4
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-000i-0190000000-b20ef421e6accd0523a4
LC-MS/MS Spectrum - LC-ESI-QTOF , negativeLC-MS/MSsplash10-001i-0900000000-2ca1121832520dd96a2c
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0006-0490000000-14b50e413340dc95fac3
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0006-0490000000-371552bb5776fd662dd9
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-0006-0590000000-a412d0980f838bf49619
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-000i-0090000000-075f1c69f8e77ea5dbe9
LC-MS/MS Spectrum - LC-ESI-TOF , negativeLC-MS/MSsplash10-0a4i-0190000000-7f42ffe76ed9c3f69f11
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-4069630b164c0619cb91
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-32d872624745be3abab3
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0f79-0980000000-e245bb6cbc97af71cd5e
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0uy0-2900000000-59881a247e3abd241d7b
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0f79-1940000000-006d75dee56e7481a44f
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0290000000-e0e08b588cde4ec7d7c8
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0190000000-f142e0417f0f94a4623b
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0f79-1920000000-42c47240052ab59116f7
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0090000000-5b35dd1c81d1b0e06d34
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-000i-0190000000-1e21916e82ad0027823a
LC-MS/MS Spectrum - LC-ESI-QTOF , positiveLC-MS/MSsplash10-0uy0-0920000000-e1d76bee7ed04b326680
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-000i-0390000000-25d2f0c55e4d86c1ead9
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-000i-0390000000-1120b5ab313d260441dc
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-000i-0390000000-c72cfc1e096b9d9344ed
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-000i-0490000000-6ffab4f26915a23fa881
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-0udi-0980000000-886008666755c5b9dc8f
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-0f7a-0179000000-bdb0d90ced545eed62c9
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0190000000-57f6e0d279c7f4fa9abf
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0090000000-93c4d30cd81d014ddf73
MS/MS Spectrum - , positiveLC-MS/MSsplash10-000i-0390000000-a216d88e8860e40a91f3
1H NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Drug created at December 10, 2019 18:52 / Updated at June 12, 2020 16:53