Compound | taiwanin A |
NPACT-Id | NPACT01410 |
IUPAC | (3E,4E)-3,4-bis(1,3-benzodioxol-5-ylmethylidene)oxolan-2-one |
Synonyms | - |
PubChem Id | 10937021 |
Class | Lignans |
In-vitro anticancer activity | 3 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | YBTVCUSZMGXJNW-YOENDLTHSA-N |
InChi | 1S/C20H14O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-8H,9-11H2/b14-5-,15-6+ |
SMILES | O1C/C(=C/c2cc3OCOc3cc2)/C(=Cc2cc3OCOc3cc2)/C1=O |
SMART | O=C1OCC(=CC2=CC3=C(OCO3)C=C2)C1=C/C1=CC2=C(OCO2)C=C1 |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C419332 |
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 |