Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000962

Phytochemical name: Epoxyisoacoragermacrone

Synonymous chemical names:
Epoxyisoacoragermacrone, epoxisoacoragermacrone, epoxyisoacoragermacrone

External chemical identifiers:
CID:CID_177420827

---

Chemical structure information

SMILES:
C/C/1=C/C(=O)C(CCC2(C(CC1)O2)C)C(C)C

InChI:
InChI=1S/C15H24O2/c1-10(2)12-7-8-15(4)14(17-15)6-5-11(3)9-13(12)16/h9-10,12,14H,5-8H2,1-4H3/b11-9-

InChIKey:
NQZPAWDCWXLOCT-LUAWRHEFSA-N

DeepSMILES:
C/C=C/C=O)CCCCCCC\%10))O3))C))))CC)C

Functional groups:
CC(=O)/C=C(/C)C, CC1OC1(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCCC2OC2CCC1

Scaffold Graph/Node level:
OC1CCCCC2OC2CCC1

Scaffold Graph level:
CC1CCCCC2CC2CCC1

---

Chemical classification

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.099

---

Chemical structure download