Compound | 12-O-Methylcarnosicacid |
NPACT-Id | NPACT00040 |
IUPAC | (4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid |
Synonyms | - |
PubChem Id | 9974918 |
Class | Terpenoids |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | QQNSARJGBPMQDI-YCRPNKLZSA-N |
InChi | 1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1 |
SMILES | OC(=O)[C@@]12[C@H](C(CCC1)(C)C)CCc1c2c(O)c(OC)c(c1)C(C)C |
SMART | [#6]OC1=C(C=C2CC[C@H]3[C@]([#6])([#6])CCC[C@]3(C(O)=O)C2=C1O)[C@H]([#6])[#6] |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | - |
HIT | - |
NCI-60 GI50 data | - |
Suppliers | NA, |
Drug-Likeliness Filters | Lipinski's rule of five | No |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |