Summary

IMPPAT Phytochemical identifier: IMPHY013133

Phytochemical name: (Z)-p-Menth-2-en-1-ol

Synonymous chemical names:
(z)-2-menthenol, (z)-p-menth-2-en-1-ol, cis-2-menthenol, cis-2-p-menthen-1-ol, cis-menth-2-en- 1-01, cis-menth-2-en-1-0l, cis-p -menth-2-en-1-ol, cis-p- menth-2-en- 1-01, cis-p-ment-2-en-1-ol, cis-p-menth-2-en-1-o1, cis-p-menth-2-en-1-of, cis-p-menth-2-en-1-oi, cis-p-menth-2-en-1-ol, cis-p-menth-2-en-i-ol, cis-p-menth-2-en-l -ol, cis-p-menth-2-en-l-ol, cis-p-menth-2en- 1-0l, cis-p-menth-2en-1-ol, cis-p-mentha-2-en-ol, cis-para menth-2-en-1-ol, cis-β- menth-2-en-1-ol, cis-ρ-menth-2-en, 1-ol, cisβ-menth-2-en-1-ol, ciz-p-menth-2-en-1-ol, menth-2-en-1-ol , menth-2-en-1-ol, z-p-menth-2-en-1-ol

External chemical identifiers:
CID:13918681, SureChEMBL:SCHEMBL8919384

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Chemical structure information

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

InChI:
InChI=1S/C10H18O/c1-8(2)9-4-6-10(3,11)7-5-9/h4,6,8-9,11H,5,7H2,1-3H3/t9-,10+/m0/s1

InChIKey:
IZXYHAXVIZHGJV-VHSXEESVSA-N

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

Functional groups:
CC=CC, 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

NP-Likeness score: 3.545

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Chemical structure download

2D:2D MOL2D MOL22D SDF
3D:3D MOL3D MOL23D SDF3D PDB3D PDBQT