Summary

IMPPAT Phytochemical identifier: IMPHY011672

Phytochemical name: alpha-Fernenol

Synonymous chemical names:
alpha-fernenol

External chemical identifiers:
CID:621134, ChEBI:175450

---

Chemical structure information

SMILES:
CC(C1CCC2C1(C)CCC1(C2(C)CC=C2C1CCC1C2(C)CCC(C1(C)C)O)C)C

InChI:
InChI=1S/C30H50O/c1-19(2)20-9-12-24-28(20,6)17-18-29(7)22-10-11-23-26(3,4)25(31)14-15-27(23,5)21(22)13-16-30(24,29)8/h13,19-20,22-25,31H,9-12,14-18H2,1-8H3

InChIKey:
VWYANPOOORUCFJ-UHFFFAOYSA-N

DeepSMILES:
CCCCCCC5C)CCCC6C)CC=CC6CCCC6C)CCCC6C)C))O)))))))))))))C)))))))))C

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C3CCCCC3CCC2C2CCC3CCCC3C2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCC3CCC21

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Fernane and Arborinane triterpenoids

NP-Likeness score: 3.307

---

Chemical structure download