Basic information
- CAS
55303-98-5- Standard SMILES
CC1=CCC[C@H]2[C@](C)(Cc3cc(O)ccc3O)[C@@H](C)CC[C@]12C- InChIKey
JSPUCPNQXKTYRO-LWILDLIXSA-N- Molecular formula
- C21H30O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.2245802
Overview
avarol has been reported in Pleraplysilla spinifera, Dysidea avara, and Dysidea with data available.
Names & identifiers
- Preferred name
- Avarol
- IUPAC
- 2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diol
- English name
- avarol
- Molecular formula
- C21H30O2
- Molecular weight
- 314.46
Names & synonyms
Avarol55303-98-5KZX416VN2B2-[[(1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]methyl]benzene-1,4-diolDTXSID80203850NSC-3069511,4-BENZENEDIOL, 2-(((1R,2S,4AS,8AS)-1,2,3,4,4A,7,8,8A-OCTAHYDRO-1,2,4A,5-TETRAMETHYL-1-NAPHTHALENYL)METHYL)-1,4-Benzenediol, 2-[[(1R,2S,4aS,8aS)-1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl]methyl]-2-(((1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl)methyl)benzene-1,4-diolRefChem:115733DTXCID10126341(1R-(1 alpha,2 beta,4a beta,8a beta))-2-((1,2,3,4,4a,7,8,8a-octahydro-1,2,4a,5-tetramethyl-1-naphthalenyl)methyl)-1,4-benzenediol
Show more names
Avarol, leukotriene B4 inhibitor2-[[(1R)-1,2,3,4,4a,7,8,8aα-Octahydro-1,2β,4aβ,5-tetramethylnaphthalen-1-yl]methyl]-1,4-benzenediol2-(((1R,2S,4aS,8aS)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl)methyl)benzene-1,4-diol
611-252-1CHEMBL459814AvrolUNII-KZX416VN2BNSC 306951(+)-AVAROL2-{[(1r,2s,4as,8as)-1,2,4a,5-tetramethyl-1,2,3,4,4a,7,8,8a-octahydronaphthalen-1-yl]methyl}benzene-1,4-diolSCHEMBL186460
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 470
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 149 · 149-150℃ (chloroform )
- form
- Brown solid.
- FDA UNII
- 416 VN2B · KZX416VN2B
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Applications
UsesAvarol is a cytostatic agent which has potent antileukemic activity.
Suppliers7 total
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
山东子易医药有限公司13173053288 · [email protected]
Related reactions
3 records
Compound notes
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