Summary

IMPPAT Phytochemical identifier: IMPHY001007

Phytochemical name: Ginsenoside-F5

Synonymous chemical names:
ginsenoside f5

External chemical identifiers:
CID:46224647, ChEMBL:CHEMBL583152, ZINC:ZINC000095536909

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H]([C@H]([C@@H]1O)O)OC[C@H]1O[C@@H](O[C@]([C@H]2CC[C@@]3([C@@H]2[C@H](O)C[C@H]2[C@@]3(C)C[C@@H]([C@@H]3[C@]2(C)CC[C@@H](C3(C)C)O)O)C)(CCC=C(C)C)C)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C41H70O13/c1-20(2)10-9-13-41(8,54-36-33(50)31(48)30(47)25(53-36)19-51-35-32(49)29(46)24(18-42)52-35)21-11-15-39(6)28(21)22(43)16-26-38(5)14-12-27(45)37(3,4)34(38)23(44)17-40(26,39)7/h10,21-36,42-50H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34-,35-,36-,38+,39+,40+,41-/m0/s1

InChIKey:
KWRQPASKWCJCPI-VWIOGRSLSA-N

DeepSMILES:
OC[C@H]O[C@@H][C@H][C@@H]5O))O))OC[C@H]O[C@@H]O[C@][C@H]CC[C@@][C@@H]5[C@H]O)C[C@H][C@@]6C)C[C@@H][C@@H][C@]6C)CC[C@@H]C6C)C))O))))))O))))))))C)))))CCC=CC)C)))))C)))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
CC=C(C)C, CO, CO[C@@H](C)OC, CO[C@H](C)OC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1COC(OCC2CCCC(OCC3CCC4C3CCC3C5CCCCC5CCC34)O2)C1

Scaffold Graph/Node level:
C1COC(OCC2CCCC(OCC3CCC4C3CCC3C5CCCCC5CCC34)O2)C1

Scaffold Graph level:
C1CCC(CCC2CCCC(CCC3CCC4C3CCC3C5CCCCC5CCC43)C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene glycosides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Dammarane and Protostane triterpenoids

NP-Likeness score: 2.709

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Chemical structure download