Summary

IMPPAT Phytochemical identifier: IMPHY003685

Phytochemical name: trans-1(7),8-p-Menthadien-2-ol

Synonymous chemical names:
1(7),8(10)-p-menthadien-2-ol?, frans-mentha-1(7),8-dien-2-ol, frans-menthα-1(7)8-dien-2-of, p-trans-mentha-1(7),8-dien-2-ol, trans-1(7),8-p-menthadien-2-ol, trans-menth-1(7),8-dien-2-ol, trans-mentha-1(7),8-dien-2-ol, trans-p-mentha-1(7),8-dien-2-ol, trans-p-metha-1(7),8-dien-2-ol, trans-ρ-mentha-1(7),8-dien-2-ol

External chemical identifiers:
CID:6428442, ZINC:ZINC000014588411, SureChEMBL:SCHEMBL11876146

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Chemical structure information

SMILES:
CC(=C)[C@@H]1CCC(=C)[C@H](C1)O

InChI:
InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h9-11H,1,3-6H2,2H3/t9-,10+/m1/s1

InChIKey:
PNVTXOFNJFHXOK-ZJUUUORDSA-N

DeepSMILES:
CC=C)[C@@H]CCC=C)[C@H]C6)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids, Monoterpenoids

NP Classifier Class: Germacrane sesquiterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 3.084

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Chemical structure download