Brevenal
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Brevenal
- DrugBank Accession Number
- DB17865
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 656.901
Monoisotopic: 656.428818892 - Chemical Formula
- C39H60O8
- Synonyms
- (-)-brevenal
- 2,4-HEPTADIENAL, 7-((2S,3S,4AS,5AR,6AS,7AR,10S,11R,12AS,14AR,15AS,16S,17AR)-11-(3Z)-3,5-HEXADIEN-1-YLEICOSAHYDRO-10,16-DIHYDROXY-3,10,14A,17A-TETRAMETHYLOXEPINO(3,2-B)PYRANO(2'',3'':6',7')OXEPINO(2',3':5,6)PYRANO(2,3-F)OXEPIN-2-YL)-3,4-DIMETHYL-, (2E,4E)-
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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- ECX1L89MFR
- CAS number
- 776331-34-1
- InChI Key
- JPBOABGEVHVPNM-LPEULFRDSA-N
- InChI
- InChI=1S/C39H60O8/c1-8-9-10-11-15-33-37(5,42)19-16-30-31(43-33)17-20-38(6)35(44-30)23-32-36(47-38)28(41)24-39(7)34(45-32)22-27(4)29(46-39)14-12-13-25(2)26(3)18-21-40/h8-10,13,18,21,27-36,41-42H,1,11-12,14-17,19-20,22-24H2,2-7H3/b10-9-,25-13+,26-18+/t27-,28-,29-,30+,31-,32+,33+,34-,35-,36-,37-,38+,39+/m0/s1
- IUPAC Name
- (2E,4E)-7-[(1S,3R,5S,7S,8S,10R,12S,13S,15R,18S,20R,21S,24R)-20-[(3Z)-hexa-3,5-dien-1-yl]-12,21-dihydroxy-7,10,15,21-tetramethyl-4,9,14,19,25-pentaoxapentacyclo[13.10.0.0^{3,13}.0^{5,10}.0^{18,24}]pentacosan-8-yl]-3,4-dimethylhepta-2,4-dienal
- SMILES
- [H][C@@]12C[C@]3([H])O[C@]4([H])CC[C@](C)(O)[C@@H](CC\C=C/C=C)O[C@@]4([H])CC[C@@]3(C)O[C@@]1([H])[C@@H](O)C[C@@]1(C)O[C@@H](CC\C=C(/C)\C(\C)=C\C=O)[C@@H](C)C[C@]1([H])O2
References
- General References
- Not Available
- External Links
- ChemSpider
- 13101508
Clinical Trials
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 logP 5.21 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 103.68 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 185.24 m3·mol-1 Chemaxon Polarizability 78.6 Å3 Chemaxon Number of Rings 5 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes 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 June 01, 2023 19:52 / Updated at June 02, 2023 02:07