Summary

IMPPAT Phytochemical identifier: IMPHY005238

Phytochemical name: Ginsenoside Rh4

Synonymous chemical names:
ginsenoside rh4

External chemical identifiers:
CID:21599928, ChEMBL:CHEMBL504029, ChEBI:176255, ZINC:ZINC000049898703, MolPort-027-720-868

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](O[C@H]2C[C@]3(C)[C@@H]([C@@]4([C@@H]2C(C)(C)[C@@H](O)CC4)C)C[C@H]([C@H]2[C@@]3(C)CC[C@@H]2/C(=C/CC=C(C)C)/C)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C36H60O8/c1-19(2)10-9-11-20(3)21-12-15-35(7)27(21)22(38)16-25-34(6)14-13-26(39)33(4,5)31(34)23(17-36(25,35)8)43-32-30(42)29(41)28(40)24(18-37)44-32/h10-11,21-32,37-42H,9,12-18H2,1-8H3/b20-11+/t21-,22-,23+,24-,25-,26+,27+,28-,29+,30-,31+,32-,34-,35-,36-/m1/s1

InChIKey:
OZTXYFOXQFKYRP-TXRYYSRHSA-N

DeepSMILES:
OC[C@H]O[C@@H]O[C@H]C[C@]C)[C@@H][C@@][C@@H]6CC)C)[C@@H]O)CC6)))))C))C[C@H][C@H][C@@]6C)CC[C@@H]5/C=C/CC=CC)C)))))/C)))))))O))))))))[C@@H][C@H][C@@H]6O))O))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC(OC2CC3C4CCCC4CCC3C3CCCCC23)OC1

Scaffold Graph/Node level:
C1CCC(OC2CC3C4CCCC4CCC3C3CCCCC23)OC1

Scaffold Graph level:
C1CCC(CC2CC3C4CCCC4CCC3C3CCCCC23)CC1

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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: 3.15

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Chemical structure download