Compound | eurylene |
NPACT-Id | NPACT01203 |
IUPAC | - |
Synonyms | [(1S,4R)-4-acetyloxy-1-[(2R,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-4-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]butyl] acetate;2,5-Furandimethanol, alpha2,alpha2'-1,2-ethanediylbis(tetrahydro-alpha5,2-dimethyl-alpha5-(4-methyl-3-pentenyl)-,alpha2,alpha2'-diacetate, (alpha2R,alpha2'S,alpha5S,alpha5'S,2S,2'R,5R,5'R)-;; |
PubChem Id | 179304 |
Class | Terpenoids |
In-vitro anticancer activity | 2 cancer cell lines |
In-Vivo anticancer activity | No |
Targets | No targets found |
Properties | Physical Elemental Topological |
InChi Key | UEWPQEARKYIFFJ-ANMVGWMBSA-N |
InChi | 1S/C34H58O8/c1-23(2)13-11-19-31(7,37)27-17-21-33(9,41-27)29(39-25(5)35)15-16-30(40-26(6)36)34(10)22-18-28(42-34)32(8,38)20-12-14-24(3)4/h13-14,27-30,37-38H,11-12,15-22H2,1-10H3/t27-,28-,29-,30+,31+,32+,33+,34-/m1/s1 |
SMILES | O1[C@@]([C@@H](OC(=O)C)CC[C@@H](OC(=O)C)[C@]2(O[C@H](CC2)[C@@](O)(CCC=C(C)C)C)C)(CC[C@@H]1[C@@](O)(CCC=C(C)C)C)C |
SMART | [H]O[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])=C(C([H])([H])[H])C([H])([H])[H])[C@]1([H])O[C@@](C([H])([H])[H])(C([H])([H])C1([H])[H])[C@]([H])(OC(=O)C([H])([H])[H])C([H])([H])C([H])([H])[C@]([H])(OC(=O)C([H])([H])[H])[C@@]1(O[C@]([H])(C([H])([H])C1([H])[H])[C@](O[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])=C(/C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] |
CAS No. | 134856-96-5 |
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Structure Download |
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Cross Refrence in other databases |
Super Natural | - |
CTD | C493363 |
HIT | - |
NCI-60 GI50 data | - |
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 |