Summary

IMPPAT Phytochemical identifier: IMPHY010609

Phytochemical name: (-)-alpha-Himachalene

Synonymous chemical names:
a-himachalene, alpha himachalene, alpha-himachalene, α-himachalene, α-himachalene oxide

External chemical identifiers:
CID:11830551, ChEMBL:CHEMBL3120652, ChEBI:49218, FDASRS:1DB5J66V5P, SureChEMBL:SCHEMBL1004667

---

Chemical structure information

SMILES:
CC1=C[C@H]2[C@@H](CC1)C(=C)CCCC2(C)C

InChI:
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,13-14H,2,5-9H2,1,3-4H3/t13-,14-/m0/s1

InChIKey:
ZJSIKVDEOWWVEH-KBPBESRZSA-N

DeepSMILES:
CC=C[C@H][C@@H]CC6))C=C)CCCC7C)C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC2C=CCCC12

Scaffold Graph/Node level:
CC1CCCCC2CCCCC12

Scaffold Graph level:
CC1CCCCC2CCCCC12

---

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: Himachalane sesquiterpenoids

NP-Likeness score: 3.156

---

Chemical structure download