Compound | canophyllic acid |
NPACT-Id | NPACT00462 |
IUPAC | 10-hydroxy-2,2,6a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-4a-carboxylic acid |
Synonyms | D:A-Friedooleanan-28-oic acid, 3.beta.-hydroxy-10-hydroxy-2,2,6a,6a,8a,9,14a-heptamethyl-1,3,4,5,6,6b,7,8,9,10,11,12,12a,13,14,14b-hexadecahydropicene-4a-carboxylic acid |
PubChem Id | 596679 |
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 | SWXBCXVNBGHVGG-UHFFFAOYSA-N |
InChi | 1S/C30H50O3/c1-19-20(31)8-9-21-26(19,4)11-10-22-27(21,5)13-14-29(7)23-18-25(2,3)12-16-30(23,24(32)33)17-15-28(22,29)6/h19-23,31H,8-18H2,1-7H3,(H,32,33) |
SMILES | OC1C(C2(C(C3(C(C4(C(C5C(CC4)(CCC(C5)(C)C)C(=O)O)(CC3)C)C)CC2)C)CC1)C)C |
SMART | [#6]C1C(O)CCC2C1([#6])CCC1C2([#6])CCC2([#6])C3CC([#6])([#6])CCC3(CCC12[#6])C(O)=O |
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 | No |
Veber filter | Yes |
Muegge Filter | No |
Similarity Search | Human metabolite database | FDA approved drugs |