Summary

IMPPAT Phytochemical identifier: IMPHY013631

Phytochemical name: Euphorginol

Synonymous chemical names:
euphorginol

External chemical identifiers:
CID:101768934

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Chemical structure information

SMILES:
O[C@H]1C[C@@]2(C)C3=CC[C@@]4([C@H]([C@H]3CC[C@@H]2[C@@]2([C@@H]1C(C)(C)CCC2)C)CC(CC4)(C)C)C

InChI:
InChI=1S/C29H48O/c1-25(2)15-16-27(5)14-11-20-19(21(27)17-25)9-10-23-28(6)13-8-12-26(3,4)24(28)22(30)18-29(20,23)7/h11,19,21-24,30H,8-10,12-18H2,1-7H3/t19-,21-,22-,23+,24-,27-,28+,29-/m0/s1

InChIKey:
JODOMONSUPBWHC-POQDVTCNSA-N

DeepSMILES:
O[C@H]C[C@@]C)C=CC[C@@][C@H][C@H]6CC[C@@H]%10[C@@][C@@H]%14CC)C)CCC6)))))C))))))CCCC6))C)C))))C

Functional groups:
CC=C(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2C(CCC3C2CCC2CCCCC23)C2CCCCC2C1

Scaffold Graph/Node level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

Scaffold Graph level:
C1CCC2C(C1)CCC1C2CCC2C3CCCCC3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Triterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Triterpenoids

NP Classifier Class: Taraxerane triterpenoids

NP-Likeness score: 3.485

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Chemical structure download