Summary

IMPPAT Phytochemical identifier: IMPHY016971

Phytochemical name: 6,7-Dehydroferruginol

Synonymous chemical names:
6,7-dehydro-ferruginol

External chemical identifiers:
CID:10978982, ChEMBL:CHEMBL3093126, ZINC:ZINC000013302909, MolPort-039-338-830

---

Chemical structure information

SMILES:
CC(c1cc2C=C[C@@H]3[C@](c2cc1O)(C)CCCC3(C)C)C

InChI:
InChI=1S/C20H28O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h7-8,11-13,18,21H,6,9-10H2,1-5H3/t18-,20+/m0/s1

InChIKey:
NCHINJPZLGMLCY-AZUAARDMSA-N

DeepSMILES:
CCcccC=C[C@@H][C@]c6cc%10O))))C)CCCC6C)C))))))))))))C

Functional groups:
cC=CC, cO

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2CCCCC2c2ccccc21

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1CCCCC12

Scaffold Graph level:
C1CCC2C(C1)CCC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Diterpenoids

NP Classifier Class: Abietane diterpenoids

NP-Likeness score: 2.603

---

Chemical structure download