Summary

IMPPAT Phytochemical identifier: IMPHY007995

Phytochemical name: Euphorbin E

Synonymous chemical names:
euphorbin e

External chemical identifiers:
CID:6451097

---

Chemical structure information

SMILES:
COC(=O)[C@@H]1C[C@@H](OC(=O)C)C(C)(C)/C=C/[C@@H](/C(=C/2C(/C=C/1C)[C@@H](OC(=O)c1ccccc1)[C@H](C2)C)/OC(=O)C)C

InChI:
InChI=1S/C33H42O8/c1-19-14-15-33(6,7)28(39-22(4)34)18-25(32(37)38-8)20(2)16-26-27(29(19)40-23(5)35)17-21(3)30(26)41-31(36)24-12-10-9-11-13-24/h9-16,19,21,25-26,28,30H,17-18H2,1-8H3/b15-14+,20-16+,29-27+/t19-,21-,25+,26?,28+,30-/m0/s1

InChIKey:
BSEUVBISSZPVKT-VRCZBDOOSA-N

DeepSMILES:
COC=O)[C@@H]C[C@@H]OC=O)C)))CC)C)/C=C/[C@@H]/C=CC/C=C/%12C)))[C@@H]OC=O)cccccc6))))))))[C@H]C5)C)))))/OC=O)C))))C

Functional groups:
C/C=C(C)C, C/C=C/C, CC(=O)O/C(C)=C(/C)C, CC(=O)OC, COC(C)=O, cC(=O)OC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CCC2=CCC=CCCCCC=CC21)c1ccccc1

Scaffold Graph/Node level:
OC(OC1CCC2CCCCCCCCCCC21)C1CCCCC1

Scaffold Graph level:
CC(CC1CCC2CCCCCCCCCCC21)C1CCCCC1

---

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: Jatrophane diterpenoids

NP-Likeness score: 1.432

---

Chemical structure download