Summary

IMPPAT Phytochemical identifier: IMPHY011180

Phytochemical name: 2-[(4aS,8aR)-4a-methyl-8-methylidene-1,4,5,6,7,8a-hexahydronaphthalen-2-yl]propan-1-ol

Synonymous chemical names:
vetiselinenol

External chemical identifiers:
CID:101306781, SureChEMBL:SCHEMBL18289195

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Chemical structure information

SMILES:
OCC(C1=CC[C@]2([C@H](C1)C(=C)CCC2)C)C

InChI:
InChI=1S/C15H24O/c1-11-5-4-7-15(3)8-6-13(9-14(11)15)12(2)10-16/h6,12,14,16H,1,4-5,7-10H2,2-3H3/t12?,14-,15+/m1/s1

InChIKey:
RQWRGJGCTMAFBS-UCWKZMIHSA-N

DeepSMILES:
OCCC=CC[C@][C@H]C6)C=C)CCC6)))))C)))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCC2CC=CCC12

Scaffold Graph/Node level:
CC1CCCC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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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: Eudesmane sesquiterpenoids

NP-Likeness score: 3.099

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Chemical structure download