Summary

IMPPAT Phytochemical identifier: IMPHY017126

Phytochemical name: alpha-Longipinen-12-ol

Synonymous chemical names:
α-longipinen-12-ol

External chemical identifiers:
CID:15275826, ZINC:ZINC000085997801

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Chemical structure information

SMILES:
OCC1=CC[C@@H]2[C@@H]3[C@H]1[C@@]2(C)CCCC3(C)C

InChI:
InChI=1S/C15H24O/c1-14(2)7-4-8-15(3)11-6-5-10(9-16)12(15)13(11)14/h5,11-13,16H,4,6-9H2,1-3H3/t11-,12+,13-,15+/m1/s1

InChIKey:
HKKXAOUJPSHXPX-COMQUAJESA-N

DeepSMILES:
OCC=CC[C@@H][C@@H][C@H]6[C@@]4C)CCCC7C)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2C3CCCCC2C3C1

Scaffold Graph/Node level:
C1CCC2C3CCCC2C3C1

Scaffold Graph level:
C1CCC2C3CCCC2C3C1

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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: Longipinane sesquiterpenoids

NP-Likeness score: 3.065

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Chemical structure download