Summary

IMPPAT Phytochemical identifier: IMPHY008981

Phytochemical name: Epideoxyarteannuin B

Synonymous chemical names:
epideoxyarteannuin b

Chemical structure information

SMILES:
CC1=C[C@@]23C(CC1)C(C)CCC3C(=C)C(=O)O2

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

InChIKey:
FRCNDCUEKFCJQI-XHXDSWRTSA-N

DeepSMILES:
CC=C[C@]CCC6))CC)CCC6C=C)C=O)O9

Functional groups:
C=C1CCOC1=O, CC(C)=CC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC23C=CCCC2CCCC13

Scaffold Graph/Node level:
CC1C(O)OC23CCCCC2CCCC13

Scaffold Graph level:
CC1CC23CCCCC2CCCC3C1C

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.325

---

Chemical structure download