| Compound | isoverbascoside |
| NPACT-Id | NPACT01503 |
| IUPAC | [6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl](E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| Synonyms | .beta.-D-Glucopyranoside,4-dihydroxyphenyl)ethyl-3-O-(6-deoxy-.alpha.-L- mannopyranosyl)-, 4-[3-(3,4-dihydroxyphenyl)-2- propenoate]; (E)-;[6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate |
| PubChem Id | 5459010 |
| Class | Carbohydrates |
| In-vitro anticancer activity | 1 cancer cell lines |
| In-Vivo anticancer activity | No |
| Targets | No targets found |
| Properties | Physical Elemental Topological |
| InChi Key | FBSKJMQYURKNSU-QPJJXVBHSA-N |
| InChi | 1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+ |
| SMILES | O(C1C(OC(=O)/C=C/c2cc(O)c(O)cc2)C(OC(OCCc2cc(O)c(O)cc2)C1O)CO)C1OC(C(O)C(O)C1O)C |
|
SMART | [#6]C1OC(OC2C(O)C(OCCC3=CC(O)=C(O)C=C3)OC(CO)C2OC(=O)C=CC2=CC(O)=C(O)C=C2)C(O)C(O)C1O |
| CAS No. | 61276-17-3 |
|
Structure
Download | 
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| Cross Refrence in other databases |
| Super Natural | - |
| CTD | C117921 |
| HIT | - |
| NCI-60 GI50 data | 61276-17-3 |
| Suppliers | ABI Chem, |
| Drug-Likeliness Filters | Lipinski's rule of five | No |
| Ghose filter | No |
| Veber filter | No |
| Muegge Filter | No |
| Similarity Search | Human metabolite database | FDA approved drugs |