Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000228

Phytochemical name: 4-Carvomenthenol

Synonymous chemical names:
Terpinene-4-ol, terpineol–4, terpinen-4-ol, terpinene4-ol, terpinen-4 ol, 4-Terpineol, (+/-)-, 4-terpineole, (syn_4-terpineol), terpinen- 4-ol, 1-terpinen-4-ol, Terpine-4-ol, terpinene-4-ol, 4-terpineol (5), 1,4-terpinenol, 4-terpinenol, terpinen4ol, terpine-4-ol, terpinen- 4 - ol, terpinen-4-ol*, terpinen-4•ol, terpin-4-ol, terpene-4-ol, terpinen-4-o1, terpinen‐4‐ol, terpinen-l-ol, terpinen -4-ol, terpinen 4-ol, 4-Terpineol, terpinen-4-olb, terpinen-4-01 (main) +, 4-terpineol, (-)terpinen-4-ol, terpineol-4-ol, terpinin-4-ol, terpinen-4 -ol, Terpineol-4, p-menth-1-en-4-ol, terpineol, 4, terpinen-4-01, terpinene-4-01, menth-1-en-4-ol, l-4-terpineneol, terpinen-4-of, terpenen-4-ol, terpinen-4-0l, terpineol-4, terpincn-4-01, Terpinen-4-ol, Terpin-4-en-1-ol, terpin-4-en-1-ol, 1-terpen-4-ol

External chemical identifiers:
CID:CID_11230, ChEMBL:CHEMBL507795, ChEBI:CHEBI:78884, FDASRS:L65MV77ZG6, SureChEMBL:SCHEMBL22344, MolPort-003-959-981

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Chemical structure information

SMILES:
CC1=CCC(CC1)(O)C(C)C

InChI:
InChI=1S/C10H18O/c1-8(2)10(11)6-4-9(3)5-7-10/h4,8,11H,5-7H2,1-3H3

InChIKey:
WRYLYDPHFGVWKC-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCC6))O)CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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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: Monoterpenoids

NP Classifier Class: Menthane monoterpenoids, Monocyclic monoterpenoids

NP-Likeness score: 2.998

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Chemical structure download