Summary

IMPPAT Phytochemical identifier: IMPHY008109

Phytochemical name: Euphornin A

Synonymous chemical names:
euphornin a

External chemical identifiers:
CID:101831568

---

Chemical structure information

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

InChI:
InChI=1S/C31H42O8/c1-18-13-14-30(6,7)26(37-21(4)32)16-25(34)19(2)15-24-27(39-29(35)23-11-9-8-10-12-23)20(3)17-31(24,36)28(18)38-22(5)33/h8-15,18,20,24-28,34,36H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24-,25+,26+,27-,28-,31+/m0/s1

InChIKey:
GAQMOGICQDOKHD-NSERFXOASA-N

DeepSMILES:
CC=O)O[C@H][C@@H]C)/C=CCC)C)[C@H]OC=O)C)))C[C@H]/C=C[C@@H][C@]%12O)C[C@@H][C@@H]5OC=O)cccccc6)))))))))C))))))/C))O

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(OC1CCC2CCC=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: 2.544

---

Chemical structure download