Summary

IMPPAT Phytochemical identifier: IMPHY011262

Phytochemical name: (1R,4Z,8Z)-6,6,9-trimethyl-2-methylidenecycloundeca-4,8-dien-1-ol

Synonymous chemical names:
humulenol, humulenol ii

External chemical identifiers:
CID:101297587, ZINC:ZINC000014441779

---

Chemical structure information

SMILES:
C/C/1=C/CC(C)(C)/C=CCC(=C)[C@@H](CC1)O

InChI:
InChI=1S/C15H24O/c1-12-7-8-14(16)13(2)6-5-10-15(3,4)11-9-12/h5,9-10,14,16H,2,6-8,11H2,1,3-4H3/b10-5-,12-9-/t14-/m1/s1

InChIKey:
ZHCPVYWHSOILQL-LWRPEEJLSA-N

DeepSMILES:
C/C=C/CCC)C)/C=CCC=C)[C@@H]CC%11))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CC=CCCC=CCCC1

Scaffold Graph/Node level:
CC1CCCCCCCCCC1

Scaffold Graph level:
CC1CCCCCCCCCC1

---

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: Humulane sesquiterpenoids

NP-Likeness score: 3.557

---

Chemical structure download