Summary

IMPPAT Phytochemical identifier: IMPHY014291

Phytochemical name: 15-Deoxyfuerstione

Synonymous chemical names:
15-deoxyfuerstione

External chemical identifiers:
CID:14104679, ZINC:ZINC000085873846

---

Chemical structure information

SMILES:
OC1=C2C(=CC=C3[C@]2(C)CCCC3(C)C)C=C(C1=O)C(C)C

InChI:
InChI=1S/C20H26O2/c1-12(2)14-11-13-7-8-15-19(3,4)9-6-10-20(15,5)16(13)18(22)17(14)21/h7-8,11-12,22H,6,9-10H2,1-5H3/t20-/m0/s1

InChIKey:
RRCPSCYNWVOUBD-FQEVSTJZSA-N

DeepSMILES:
OC=CC=CC=C[C@]6C)CCCC6C)C)))))))))C=CC6=O))CC)C

Functional groups:
CC1=CC=C2C=C(C)C(=O)C(O)=C2C1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2=CC=C3CCCCC3C2=C1

Scaffold Graph/Node level:
OC1CCC2CCC3CCCCC3C2C1

Scaffold Graph level:
CC1CCC2CCC3CCCCC3C2C1

---

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: Abeoabietane diterpenoids

NP-Likeness score: 2.723

---

Chemical structure download