Summary

IMPPAT Phytochemical identifier: IMPHY002102

Phytochemical name: Epoxyisoacoragermacrone

Synonymous chemical names:
epoxisoacoragermacrone, epoxyisoacoragermacrone

External chemical identifiers:
CID:101652306

---

Chemical structure information

SMILES:
C/C/1=C/C(=O)[C@@H](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-/t12-,14?,15?/m0/s1

InChIKey:
NQZPAWDCWXLOCT-QHFOCBFCSA-N

DeepSMILES:
C/C=C/C=O)[C@@H]CCCCCC%10))O3))C))))CC)C

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

---

Molecular scaffolds

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

Scaffold Graph/Node level:
OC1CCCCC2OC2CCC1

Scaffold Graph level:
CC1CCCCC2CC2CCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.099

---

Chemical structure download