Bioactive Compound Details
| BioID | bio1069 |
|---|---|
| Name | DIANVERSICOSIDE C |
| ChEMBL ID | CHEMBL563616 |
| Molecular Formula | C66H104O35 |
| Molecular Weight | 1457.52 |
| Molecular Weight (Monoisotopic) | 1456.6358 |
| Type | Small molecule |
| Max Phase | -- |
| Target ID | Tar11 |
| Target Name | Proto-oncogene c-RAF (c-RAF) |
| Synonyms | Dianversicoside C |
| Smiles | CC1(C)CC[C@]2(C(=O)O[C@@H]3O[C@H](CO[C@@H]4O[C@H](COC(=O)C[C@@](C)(O)CC(=O)O)[C@@H](O)[C@H](O)[C@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@@H](O)[C@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O)[C@H](O)C[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(C(=O)O[C@@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@H]6O)[C@@H]5CC[C@]43C)[C@@H]2C1 |
| Inchi | InChI=1S/C66H104O35/c1-60(2)14-15-66(26(16-60)25-8-9-32-62(4)12-11-34(70)65(7,33(62)10-13-63(32,5)64(25,6)17-35(66)71)58(88)100-55-49(86)45(82)40(77)29(22-69)95-55)59(89)101-56-50(87)51(98-53-47(84)43(80)38(75)27(20-67)93-53)42(79)31(96-56)24-92-57-52(99-54-48(85)44(81)39(76)28(21-68)94-54)46(83)41(78)30(97-57)23-91-37(74)19-61(3,90)18-36(72)73/h8,26-35,38-57,67-71,75-87,90H,9-24H2,1-7H3,(H,72,73)/t26-,27+,28+,29+,30+,31+,32+,33+,34-,35+,38+,39+,40+,41+,42+,43-,44-,45-,46-,47+,48+,49+,50+,51-,52+,53-,54-,55-,56-,57+,61-,62+,63+,64+,65-,66+/m0/s1 |
| Inchi Key | REKHJGKARKFDEX-LDKPNRBDSA-N |
| Molecular Species | None |
| Targets | 5.0 |
| Bioactivities | 5.0 |
| Np Likeness Score | None |
| Records Key | ['3, Dianversicoside C'] |
| Records Name | ['23-O-beta-D-glucopyranosyl-3beta-hydroxyolean-12-en-23alpha,28beta-dioic acid28-O-[beta-D-glucopyranosyl(1->3)]{[beta-D-glucopyranosyl(1->2)][beta-D-6-O-((3S)-3-hydroxy-3-methylglutaryl)glucopyranosyl(1->6)]}-beta-D-glucopyranoside'] |
| Withdrawn Flag | False |
| Orphan | -1 |
Molecular Structure
