Summary

IMPPAT Phytochemical identifier: IMPHY012390

Phytochemical name: Euglobal G3

Synonymous chemical names:
euglobal g3

External chemical identifiers:
CID:164300, ChEMBL:CHEMBL1800847, ZINC:ZINC000015209942, SureChEMBL:SCHEMBL135155

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Chemical structure information

SMILES:
O=Cc1c2O[C@@]3(CCc2c(c(c1O)C(=O)CC(C)C)O)CC[C@H]1C[C@@H]3C1(C)C

InChI:
InChI=1S/C23H30O5/c1-12(2)9-16(25)18-19(26)14-6-8-23(28-21(14)15(11-24)20(18)27)7-5-13-10-17(23)22(13,3)4/h11-13,17,26-27H,5-10H2,1-4H3/t13-,17+,23+/m0/s1

InChIKey:
XREJXBXJCWWRFP-OLJPZDALSA-N

DeepSMILES:
O=CccO[C@@]CCc6ccc%10O))C=O)CCC)C)))))O)))))CC[C@H]C[C@@H]6C4C)C

Functional groups:
cC(C)=O, cC=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CCC1(CCC3CC1C3)O2

Scaffold Graph/Node level:
C1CCC2OC3(CCC4CC3C4)CCC2C1

Scaffold Graph level:
C1CCC2CC3(CCC4CC3C4)CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Butyrophenones

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Phloroglucinol-terpene hybrids

NP-Likeness score: 2.312

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Chemical structure download