Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018209

Phytochemical name: 2-(4,7-Dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)propan-1-ol

Synonymous chemical names:
2-(4,7-Dimethyl-1,2,4a,5,6,8a-hexahydronaphthalen-1-yl)propan-1-ol

External chemical identifiers:
CID:CID_78409298

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Chemical structure information

SMILES:
OCC(C1CC=C(C2C1C=C(C)CC2)C)C

InChI:
InChI=1S/C15H24O/c1-10-4-6-13-11(2)5-7-14(12(3)9-16)15(13)8-10/h5,8,12-16H,4,6-7,9H2,1-3H3

InChIKey:
AHLPWDSDBNEGCL-UHFFFAOYSA-N

DeepSMILES:
OCCCCC=CCC6C=CC)CC6))))))C)))))C

Functional groups:
CO, CC=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCC=CC2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2C1

Scaffold Graph level:
C1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Cadinane sesquiterpenoids

NP-Likeness score: 3.238

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Chemical structure download