Summary

IMPPAT Phytochemical identifier: IMPHY000054

Phytochemical name: 2-[(2R)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propan-2-ol

Synonymous chemical names:
occidol

External chemical identifiers:
CID:10998493, ZINC:ZINC000014616079, SureChEMBL:SCHEMBL6510934

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Chemical structure information

SMILES:
Cc1ccc(c2c1C[C@@H](CC2)C(O)(C)C)C

InChI:
InChI=1S/C15H22O/c1-10-5-6-11(2)14-9-12(15(3,4)16)7-8-13(10)14/h5-6,12,16H,7-9H2,1-4H3/t12-/m1/s1

InChIKey:
AFBBWQXTLZVDEE-GFCCVEGCSA-N

DeepSMILES:
Ccccccc6C[C@@H]CC6))CO)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: 0.637

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Chemical structure download