Basic information
- CAS
59632-76-7- Standard SMILES
C=C1C(=O)OC2/C=C(/C)CC/C=C(\C(=O)O)CC/C=C(\C)CCC12- InChIKey
SORYERHBQFTRIK-XMLQBHOOSA-N- Molecular formula
- C20H26O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.18310931
Overview
ANISOMELIC ACID has been reported in Anisomeles indica with data available.
Names & identifiers
- Preferred name
- Anisomelic acid
- IUPAC
- (6E,10Z,14Z)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acid
- English name
- Anisomelic acid
- Molecular formula
- C20H26O4
- Molecular weight
- 330.42
Names & synonyms
ANISOMELIC ACID59632-76-7(6E,10Z,14Z)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca[b]furan-10-carboxylic acidDTXSID20418461(6E,10Z,14Z)-6,14-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,12,13,15a-octahydrocyclotetradeca(b)furan-10-carboxylic acidRefChem:112837DTXCID80369309SCHEMBL15576177NSC272354NSC-272354(6E,10Z,14Z)-6,14-Dimethyl-3-methylidene-2-oxo-2,3,3a,4,5,8,9,12,13,15a-decahydrocyclotetradeca[b]furan-10-carboxylic acidAnisomelolide
Show more names
(3aR,6E,10Z,14E,15aS)-2,3,3a,4,5,8,9,12,13,15a-Decahydro-6,14-dimethyl-3-methylene-2-oxocyclotetradeca[b]furan-10-carboxylic acidCyclotetradeca[b]furan-10-carboxylic acid, 2,3,3a,4,5,8,9,12,13,15a-decahydro-6,14-dimethyl-3-methylene-2-oxo-, (3aR,6E,10Z,14E,15aS)-
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 622
Physicochemical properties
- InChIKey
- SORYERHBQFTRIK-PUWPUPSASA-N
- SMILES
- O1C(=O)C(=C)[C@@]2([H])CCC(C)=CCCC(C(O)=O)=CCCC(C)=C[C@]12[H] |t:10,17,22|
Chemistry & industry
Applications
DescriptionAnisomelic acid: a cembrane-type macrocyclic diterpenoid possesses both anticancer and antiviral activityAnisomelic acid (AA) is one of the principle bioactive compounds isolated from the plant Anisomeles malabarica. It is a membrane-type macrocyclic diterpenoid that presents potent cytotoxicity. It possesses both anticancer and antiviral activity. Researchers have studied the mode of action of AA-mediated apoptosis, indicating that AA inhibits the expression of the E6 and E7 viral proteins. In addition, AA is also effective in inducing apoptosis in other HPV-positive cervical cancer cells, with a high degree of specificity to HPV-positive cells and insignificant effects on HPV-negative cells[1-2].
Suppliers18 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都乐美天医药科技有限公司17308096051 17308096051 · [email protected]
成都普睿法药物研发有限公司82633860 18982077548 · [email protected]
Accendatech Co., Ltd.+undefined+86-13132578992 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]
杭州辅润医药科技有限公司15658004993 · [email protected]
成都普思生物科技股份有限公司028-85370565-229 18080489829 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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