Compound | artocarpin |
NPACT-Id | NPACT00837 |
IUPAC | 2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one |
Synonyms | 2-(2,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-6-(3-methyl-1-butenyl)-3-(3-methyl-2-butenyl)-4H-chromen-4-one;2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-6-[(E)-3-methylbut-1-enyl]-3-(3-methylbut-2-enyl)chromen-4-one |
PubChem Id | 5458461 |
Class | Flavonoid |
In-vitro anticancer activity | 1 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | KRGDFVQWQJIMEK-RMKNXTFCSA-N |
InChi | 1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-9,11-14,27-29H,10H2,1-5H3/b9-6+ |
SMILES | o1c2c(c(=O)c(c1c1c(O)cc(O)cc1)CC=C(C)C)c(O)c(c(OC)c2)/C=C/C(C)C |
SMART | [#6]OC1=C(C=CC([#6])[#6])C(O)=C2C(OC(=C(CC=C([#6])[#6])C2=O)C2=C(O)C=C(O)C=C2)=C1 |
CAS No. | - |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C111536 |
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 |