Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018274

Phytochemical name: P-mentha-1(7),8-dien-2-ol, acetate, cis-

Synonymous chemical names:
p-Mentha-1(7),8-dien-2-ol, acetate, cis-

External chemical identifiers:
CID:CID_44147699, FDASRS:MEP6WAS0OH, SureChEMBL:SCHEMBL11877593

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Chemical structure information

SMILES:
CC(=O)O[C@H]1C[C@H](CCC1=C)C(=C)C

InChI:
InChI=1S/C12H18O2/c1-8(2)11-6-5-9(3)12(7-11)14-10(4)13/h11-12H,1,3,5-7H2,2,4H3/t11-,12-/m0/s1

InChIKey:
CCLNPVCMIJDJLR-RYUDHWBXSA-N

DeepSMILES:
CC=O)O[C@H]C[C@H]CCC6=C))))C=C)C

Functional groups:
CC(=O)OC, C=C(C)C

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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: Monoterpenoids

NP-Likeness score: 2.628

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Chemical structure download