Summary

IMPPAT Phytochemical identifier: IMPHY001517

Phytochemical name: 3-Cyclohexene-1-carboxaldehyde, 4-(1-methylethyl)-

Synonymous chemical names:
3-p-menthen-7-al

External chemical identifiers:
CID:15601950, FDASRS:T7QZ3GA2CW, SureChEMBL:SCHEMBL4451624, MolPort-022-367-947

---

Chemical structure information

SMILES:
O=CC1CCC(=CC1)C(C)C

InChI:
InChI=1S/C10H16O/c1-8(2)10-5-3-9(7-11)4-6-10/h5,7-9H,3-4,6H2,1-2H3

InChIKey:
MGJVBPPEWVKZTN-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC=CC6))CC)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

---

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: 1.856

---

Chemical structure download