Summary

IMPPAT Phytochemical identifier: IMPHY016119

Phytochemical name: (Z)-2-methyl-6-(2-methyl-3-tricyclo[2.2.1.02,6]heptanyl)hept-2-en-1-ol

Synonymous chemical names:
(z)-α-sanatalol

External chemical identifiers:
CID:5352146

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Chemical structure information

SMILES:
OC/C(=CCCC(C1C2CC3C1(C)C3C2)C)/C

InChI:
InChI=1S/C16H26O/c1-10(9-17)5-4-6-11(2)15-12-7-13-14(8-12)16(13,15)3/h5,11-15,17H,4,6-9H2,1-3H3/b10-5-

InChIKey:
UWSUGXFVYBVFDX-YHYXMXQVSA-N

DeepSMILES:
OC/C=CCCCCCCCC5C)C3C6)))))))C)))))/C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1C2CC3C1C3C2

Scaffold Graph/Node level:
C1C2CC3C1C3C2

Scaffold Graph level:
C1C2CC3C1C3C2

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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: Santalane sesquiterpenoids

NP-Likeness score: 2.984

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Chemical structure download