Summary

IMPPAT Phytochemical identifier: IMPHY008129

Phytochemical name: Euphornin C

Synonymous chemical names:
euphornin c

External chemical identifiers:
CID:90478162

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Chemical structure information

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

InChI:
InChI=1S/C31H40O8/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/h8-15,18,20,24,26-28,36H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24-,26+,27-,28-,31+/m0/s1

InChIKey:
GITCJXFZRWGKLJ-KVDFIPRCSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2C(CCC=CCCC1)CCC2OC(=O)c1ccccc1

Scaffold Graph/Node level:
OC1CCCCCCCC2CCC(OC(O)C3CCCCC3)C2CC1

Scaffold Graph level:
CC1CCCCCCCC2CCC(CC(C)C3CCCCC3)C2CC1

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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: 2.375

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Chemical structure download