Summary

IMPPAT Phytochemical identifier: IMPHY003208

Phytochemical name: Ginsenol

Synonymous chemical names:
ginsenol

External chemical identifiers:
CID:3082861, ChEMBL:CHEMBL470270

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Chemical structure information

SMILES:
CC1(C)C[C@@]2([C@@]3([C@H]1CC[C@@]2(C)CCC3)C)O

InChI:
InChI=1S/C15H26O/c1-12(2)10-15(16)13(3)7-5-8-14(15,4)11(12)6-9-13/h11,16H,5-10H2,1-4H3/t11-,13+,14-,15+/m0/s1

InChIKey:
QOXUIQMPPDIDGM-PMOUVXMZSA-N

DeepSMILES:
CCC)C[C@@][C@@][C@H]5CC[C@@]6C)CCC8)))))))C))O

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CC2CCC3CCC2C3C1

Scaffold Graph/Node level:
C1CC2CCC3CCC2C3C1

Scaffold Graph level:
C1CC2CCC3CCC2C3C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Alcohols and polyols

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Presilphiperfolane and Probotryane sesquiterpenoids

NP-Likeness score: 3.02

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Chemical structure download