(R)-Gossypol
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- (R)-Gossypol
- DrugBank Accession Number
- DB17379
- Background
(R)-Gossypol is the R-isomer of Gossypol.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 518.5544
Monoisotopic: 518.194067936 - Chemical Formula
- C30H30O8
- Synonyms
- (-)-Gossypol
- (r)-2,2'-bis(8-formyl-1,6,7-trihydroxy-5-isopropyl-3-methylnaphthalene)
- Gossypol r-form
- Gossypol, (r)-
- Gossypol, r-
- R-(-)-gossypol
- External IDs
- NSC-726190
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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Prenol lipids
- Sub Class
- Sesquiterpenoids
- Direct Parent
- Sesquiterpenoids
- Alternative Parents
- Naphthols and derivatives / Aryl-aldehydes / 1-hydroxy-4-unsubstituted benzenoids / Vinylogous acids / Polyols / Organic oxides / Hydrocarbon derivatives
- Substituents
- 1-hydroxy-4-unsubstituted benzenoid / 1-naphthol / 2-naphthol / Aldehyde / Aromatic homopolycyclic compound / Aryl-aldehyde / Benzenoid / Cadinane sesquiterpenoid / Hydrocarbon derivative / Naphthalene
- Molecular Framework
- Aromatic homopolycyclic compounds
- External Descriptors
- polyphenol (CHEBI:28584) / Cadinane sesquiterpenoids, Terpenoids, Cadinanes (C07667) / Cadinane sesquiterpenoids (LMPR0103330002)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 8DY2X8LXW4
- CAS number
- 90141-22-3
- InChI Key
- QBKSWRVVCFFDOT-UHFFFAOYSA-N
- InChI
- InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
- IUPAC Name
- 1,1',6,6',7,7'-hexahydroxy-3,3'-dimethyl-5,5'-bis(propan-2-yl)-[2,2'-binaphthalene]-8,8'-dicarbaldehyde
- SMILES
- CC(C)C1=C(O)C(O)=C(C=O)C2=C(O)C(=C(C)C=C12)C1=C(O)C2=C(C=C1C)C(C(C)C)=C(O)C(O)=C2C=O
References
- General References
- Not Available
- External Links
- BindingDB
- 46555
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Extensive-stage Small Cell Lung Cancer (SCLC) / Recurrent Small Cell Lung Cancer (SCLC) 1
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 0.00385 mg/mL ALOGPS logP 4.49 ALOGPS logP 8.02 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 7.8 Chemaxon pKa (Strongest Basic) -6.1 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 155.52 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 147.61 m3·mol-1 Chemaxon Polarizability 55.98 Å3 Chemaxon Number of Rings 4 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 247.8474986 predictedDarkChem Lite v0.1.0 [M-H]- 247.4038986 predictedDarkChem Lite v0.1.0 [M-H]- 247.6464986 predictedDarkChem Lite v0.1.0 [M-H]- 220.1797 predictedDeepCCS 1.0 (2019) [M+H]+ 248.1184986 predictedDarkChem Lite v0.1.0 [M+H]+ 247.5748986 predictedDarkChem Lite v0.1.0 [M+H]+ 247.5256986 predictedDarkChem Lite v0.1.0 [M+H]+ 222.07762 predictedDeepCCS 1.0 (2019) [M+Na]+ 248.1479986 predictedDarkChem Lite v0.1.0 [M+Na]+ 247.8428986 predictedDarkChem Lite v0.1.0 [M+Na]+ 247.5225986 predictedDarkChem Lite v0.1.0 [M+Na]+ 227.90001 predictedDeepCCS 1.0 (2019)
Drug created at December 07, 2022 20:41 / Updated at May 20, 2024 11:59