Summary

IMPPAT Phytochemical identifier: IMPHY017827

Phytochemical name: 1,10-Epoxyfuranoeremophilane

Synonymous chemical names:
1,10-epoxyfuranoeremophilane

External chemical identifiers:
CID:91747199, ZINC:ZINC000231154506

---

Chemical structure information

SMILES:
C[C@H]1CC[C@H]2[C@@]3([C@]1(C)Cc1c(C3)occ1C)O2

InChI:
InChI=1S/C15H20O2/c1-9-8-16-12-7-15-13(17-15)5-4-10(2)14(15,3)6-11(9)12/h8,10,13H,4-7H2,1-3H3/t10-,13-,14+,15-/m0/s1

InChIKey:
JEMHOLDSLYRZHT-HPEDKQMDSA-N

DeepSMILES:
C[C@H]CC[C@H][C@@][C@]6C)CccC6)occ5C))))))))O3

Functional groups:
C[C@@H]1O[C@]1(C)C, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(o1)CC13OC1CCCC3C2

Scaffold Graph/Node level:
C1CC2CC3CCOC3CC23OC3C1

Scaffold Graph level:
C1CC2CC3CCCC4CC34CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Naphthofurans

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Eremophilane sesquiterpenoids

NP-Likeness score: 3.203

---

Chemical structure download