Summary

IMPPAT Phytochemical identifier: IMPHY011026

Phytochemical name: (20R)-Ginsenoside Rh1

Synonymous chemical names:
(20)r ginsenoside rh1, 20(r) ginsenoside rh1, ginsenoside rh1,20(r)-

External chemical identifiers:
CID:21599923, ChEMBL:CHEMBL3594353, ZINC:ZINC000085643762, MolPort-028-600-128

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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@@](CCC=C(C)C)(O)C)O)[C@@H]([C@H]([C@@H]1O)O)O

InChI:
InChI=1S/C36H62O9/c1-19(2)10-9-13-36(8,43)20-11-15-34(6)26(20)21(38)16-24-33(5)14-12-25(39)32(3,4)30(33)22(17-35(24,34)7)44-31-29(42)28(41)27(40)23(18-37)45-31/h10,20-31,37-43H,9,11-18H2,1-8H3/t20-,21+,22-,23+,24+,25-,26-,27+,28-,29+,30-,31+,33+,34+,35+,36+/m0/s1

InChIKey:
RAQNTCRNSXYLAH-PQYWRUIPSA-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@@]CCC=CC)C)))))O)C)))))))O))))))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
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: 3.205

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Chemical structure download