Summary

IMPPAT Phytochemical identifier: IMPHY000683

Phytochemical name: Euphoscopin F

Synonymous chemical names:
euphoscopin f

External chemical identifiers:
CID:101831567

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Chemical structure information

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

InChI:
InChI=1S/C31H38O8/c1-18-13-14-30(6,7)26(34)16-25(37-21(4)32)19(2)15-24-27(38-29(36)23-11-9-8-10-12-23)20(3)17-31(24,28(18)35)39-22(5)33/h8-15,18,20,24-25,27H,16-17H2,1-7H3/b14-13-,19-15-/t18-,20-,24+,25-,27+,31-/m1/s1

InChIKey:
VWSCEDLUJPCZIA-YHBUJPCUSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC=CCC(=O)C2CCC(OC(=O)c3ccccc3)C2C=CCC1

Scaffold Graph/Node level:
OC1CCCCC(O)C2CCC(OC(O)C3CCCCC3)C2CCCC1

Scaffold Graph level:
CC1CCCCC(C)C2CCC(CC(C)C3CCCCC3)C2CCCC1

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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: 2.498

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Chemical structure download