Compound | 7-epi-7-O-methylrosmanol |
NPACT-Id | NPACT00196 |
IUPAC | - |
Synonyms | - |
PubChem Id | 9950773 |
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 | XNPVHIQPSAZTLC-UHFFFAOYSA-N |
InChi | 1S/C21H28O5/c1-10(2)11-9-12-13(15(23)14(11)22)21-8-6-7-20(3,4)18(21)17(16(12)25-5)26-19(21)24/h9-10,16-18,22-23H,6-8H2,1-5H3 |
SMILES | O1[C@H]2[C@H]3[C@](CCCC3(C)C)(c3c([C@H]2OC)cc(c(O)c3O)C(C)C)C1=O |
SMART | [#6]O[C@H]1[C@H]2OC(=O)[C@@]3(CCC[C@]([#6])([#6])[C@@H]23)C2=C(O)C(O)=C(C=C12)[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 | Yes |
Ghose filter | Yes |
Veber filter | Yes |
Muegge Filter | Yes |
Similarity Search | Human metabolite database | FDA approved drugs |