Summary

IMPPAT Phytochemical identifier: IMPHY011617

Phytochemical name: Euphornin D

Synonymous chemical names:
euphornin d

External chemical identifiers:
CID:101831569

---

Chemical structure information

SMILES:
CC(=O)O[C@@H]1C[C@@H](OC(=O)C)C(C)(C)/C=C[C@@H]([C@@H]([C@@]2([C@@H](/C=C1/C)[C@@H](OC(=O)c1ccccc1)[C@H](C2)C)OC(=O)C)OC(=O)C)C

InChI:
InChI=1S/C35H46O10/c1-20-15-16-34(8,9)30(42-24(5)37)18-29(41-23(4)36)21(2)17-28-31(44-33(40)27-13-11-10-12-14-27)22(3)19-35(28,45-26(7)39)32(20)43-25(6)38/h10-17,20,22,28-32H,18-19H2,1-9H3/b16-15-,21-17-/t20-,22-,28-,29+,30+,31-,32-,35+/m0/s1

InChIKey:
FZKCYZNAORCYGO-IULNKUSHSA-N

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

Functional groups:
C/C(C)=C/C, C/C=CC, CC(=O)OC, 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: 2.339

---

Chemical structure download