Granaticin B
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Granaticin B
- DrugBank Accession Number
- DB17273
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 558.536
Monoisotopic: 558.173726406 - Chemical Formula
- C28H30O12
- Synonyms
- 8,11-ethanofuro(2,3-e)naphtho(2,3-c:6,7-c')dipyran-2,6,13(9h)-trione, 3,3a,5,8,11,13b-hexahydro-7,8,12-trihydroxy-5,9-dimethyl-15-(((2s,5s,6s)-tetrahydro-5-hydroxy-6-methyl-2h-pyran-2-yl)oxy)-, (3as,5s,8s,9r,11r,13bs,15r)-
- External IDs
- LBS-007
- MM 44326
- MM-44326
Pharmacology
- Indication
Not Available
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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
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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
- JS606MEA30
- CAS number
- 19879-03-9
- InChI Key
- HLNZYALGGXMQQC-VHAJSWNUSA-N
- InChI
- InChI=1S/C28H30O12/c1-8-11(29)4-5-16(37-8)39-14-6-12-18-22(28(14,35)10(3)38-12)26(34)20-19(24(18)32)25(33)21-17(23(20)31)9(2)36-13-7-15(30)40-27(13)21/h8-14,16,27,29,32,34-35H,4-7H2,1-3H3/t8-,9-,10+,11-,12+,13-,14+,16-,27+,28-/m0/s1
- IUPAC Name
- (1R,7S,11S,13S,19S,20R,23R)-3,17,19-trihydroxy-23-{[(2S,5S,6S)-5-hydroxy-6-methyloxan-2-yl]oxy}-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0^{2,18}.0^{4,16}.0^{6,14}.0^{7,11}]tricosa-2,4(16),6(14),17-tetraene-5,9,15-trione
- SMILES
- [H][C@]12CC(=O)O[C@@]1([H])C1=C([C@H](C)O2)C(=O)C2=C(C(O)=C3[C@H]4C[C@@H](O[C@H]5CC[C@H](O)[C@H](C)O5)[C@@](O)([C@@H](C)O4)C3=C2O)C1=O
References
- General References
- Not Available
- External Links
- ChemSpider
- 32700012
- ChEMBL
- CHEMBL3334759
- ZINC
- ZINC000105559329
Clinical Trials
- Clinical Trials
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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
Property Value Source Water Solubility 2.07 mg/mL ALOGPS logP 1.76 ALOGPS logP 1.34 Chemaxon logS -2.4 ALOGPS pKa (Strongest Acidic) 8.08 Chemaxon pKa (Strongest Basic) -3.2 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 11 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 178.28 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 133.73 m3·mol-1 Chemaxon Polarizability 58 Å3 Chemaxon Number of Rings 7 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Not Available
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at November 30, 2022 22:54 / Updated at December 01, 2022 11:36