Summary

IMPPAT Phytochemical identifier: IMPHY017856

Phytochemical name: 11alphaH-Himachal-4-en-1beta-ol

Synonymous chemical names:
11-αh-himachala-1,4-diene

External chemical identifiers:
CID:91748861

---

Chemical structure information

SMILES:
CC1C[C@@H](O)[C@@H]2C(=C1)C(C)(C)CCCC2C

InChI:
InChI=1S/C15H26O/c1-10-8-12-14(13(16)9-10)11(2)6-5-7-15(12,3)4/h8,10-11,13-14,16H,5-7,9H2,1-4H3/t10?,11?,13-,14+/m1/s1

InChIKey:
ORJBXKUKZNDFLV-QUINOFQRSA-N

DeepSMILES:
CCC[C@@H]O)[C@@H]C=C6)CC)C)CCCC7C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCCCC2CCC1

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: 2.541

---

Chemical structure download