NPACT- Naturally occuring Plant based Anticancerous Compound-Activity-Target DataBase
Compound12-O-Methylcarnosicacid
NPACT-IdNPACT00040
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 Id9974918
ClassTerpenoids
In-vitro anticancer activity 1 cancer cell lines
In-Vivo anticancer activity No
TargetsNo targets found
Properties Physical   Elemental  Topological
InChi KeyQQNSARJGBPMQDI-YCRPNKLZSA-N
InChi1S/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
SMILESOC(=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.-
Structure
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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 SearchHuman metabolite databaseFDA approved drugs

 






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