Summary

IMPPAT Phytochemical identifier: IMPHY013038

Phytochemical name: Euglobal G4

Synonymous chemical names:
euglobal g4

External chemical identifiers:
CID:11058141, ChEMBL:CHEMBL1800848, ZINC:ZINC000015209947

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Chemical structure information

SMILES:
O=Cc1c(O)c2CC[C@]3(Oc2c(c1O)C(=O)CC(C)C)CC[C@H]1C[C@@H]3C1(C)C

InChI:
InChI=1S/C23H30O5/c1-12(2)9-16(25)18-20(27)15(11-24)19(26)14-6-8-23(28-21(14)18)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:
KGRQMZNGTGLLGV-OLJPZDALSA-N

DeepSMILES:
O=CccO)cCC[C@]Oc6cc%10O))C=O)CCC)C)))))))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: 2.325

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Chemical structure download