Summary

IMPPAT Phytochemical identifier: IMPHY012279

Phytochemical name: alpha-Curcumene

Synonymous chemical names:
alpha curcumene, alpha-curcumene, ar-curcumene, ar-curcumene*, ar-curcumene+, curcumene, curcumene, alpha, α-curcumene

External chemical identifiers:
CID:92139, ChEMBL:CHEMBL4210821, ChEBI:62757, FDASRS:S24T013WOF, SureChEMBL:SCHEMBL156333

---

Chemical structure information

SMILES:
CC(=CCCC(c1ccc(cc1)C)C)C

InChI:
InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h6,8-11,14H,5,7H2,1-4H3

InChIKey:
VMYXUZSZMNBRCN-UHFFFAOYSA-N

DeepSMILES:
CC=CCCCcccccc6))C)))))C)))))C

Functional groups:
CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

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: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Bisabolane sesquiterpenoids

NP-Likeness score: 0.873

---

Chemical structure download