Summary

IMPPAT Phytochemical identifier: IMPHY003172

Phytochemical name: (E)-2-methyl-5-(2-methyl-3-methylidene-2-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol

Synonymous chemical names:
-santalol, santalol

External chemical identifiers:
CID:5368798, SureChEMBL:SCHEMBL301321, MolPort-006-148-611

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Chemical structure information

SMILES:
OC/C(=C/CCC1(C)C2CCC(C1=C)C2)/C

InChI:
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5+

InChIKey:
OJYKYCDSGQGTRJ-VZUCSPMQSA-N

DeepSMILES:
OC/C=C/CCCC)CCCCC6=C))C5)))))))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC2CCC1C2

Scaffold Graph/Node level:
CC1CC2CCC1C2

Scaffold Graph level:
CC1CC2CCC1C2

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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: Monoterpenoids

NP Classifier Class: Camphane monoterpenoids

NP-Likeness score: 3.634

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Chemical structure download