Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000977

Phytochemical name: Isoterpinolene

Synonymous chemical names:
iso-terpinolene, isoterpinolene, p-mentha-2-4 (8)-diene, cyclohexene, 3-methyl-6-(1- methylethylidene) or isoterpinolene, cyclohexene, 3-methyl-6-(1-methylethylidene), p-Mentha-2,4(8)-diene

External chemical identifiers:
CID:CID_102443, ChEBI:CHEBI:88840, SureChEMBL:SCHEMBL2703916

---

Chemical structure information

SMILES:
CC1CCC(=C(C)C)C=C1

InChI:
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,6,9H,5,7H2,1-3H3

InChIKey:
CIPXOBMYVWRNLL-UHFFFAOYSA-N

DeepSMILES:
CCCCC=CC)C))C=C6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C=CCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

---

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: 2.294

---

Chemical structure download