Summary

IMPPAT Phytochemical identifier: IMPHY014833

Phytochemical name: beta-Himachalene

Synonymous chemical names:
beta himachalene, beta-himachalene, β-himachalene, β-himachallene

External chemical identifiers:
CID:11586487, ChEBI:49208, FDASRS:F8Y2422O3M, SureChEMBL:SCHEMBL17627761

---

Chemical structure information

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

InChI:
InChI=1S/C15H24/c1-11-7-8-13-12(2)6-5-9-15(3,4)14(13)10-11/h10,14H,5-9H2,1-4H3/t14-/m0/s1

InChIKey:
LCOSCMLXPAQCLQ-AWEZNQCLSA-N

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

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC=C2CC1

Scaffold Graph/Node level:
C1CCC2CCCCC2CC1

Scaffold Graph level:
C1CCC2CCCCC2CC1

---

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: 2.627

---

Chemical structure download