Summary

IMPPAT Phytochemical identifier: IMPHY009407

Phytochemical name: (2R,3S)-rel-(+)-1,2,3,4-Tetrahydro-3-hydroxy-alpha,alpha,5,8-tetramethyl-2-naphthalenemethanol

Synonymous chemical names:
rishitinol

External chemical identifiers:
CID:12314974

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Chemical structure information

SMILES:
OC1Cc2c(C)ccc(c2CC1C(O)(C)C)C

InChI:
InChI=1S/C15H22O2/c1-9-5-6-10(2)12-8-14(16)13(7-11(9)12)15(3,4)17/h5-6,13-14,16-17H,7-8H2,1-4H3

InChIKey:
CHZJSQCDRSPCMD-UHFFFAOYSA-N

DeepSMILES:
OCCccC)cccc6CC%10CO)C)C)))))C

Functional groups:
CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCCC2

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Tetralins

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 1.047

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Chemical structure download