Summary

IMPPAT Phytochemical identifier: IMPHY007988

Phytochemical name: Euglobal IIb

Synonymous chemical names:
euglobal iib

External chemical identifiers:
CID:10385496, ChEBI:175085, SureChEMBL:SCHEMBL95706

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Chemical structure information

SMILES:
O=Cc1c2OC3(CCC(C=C3)C(C)C)CC(c2c(c(c1O)C=O)O)CC(C)C

InChI:
InChI=1S/C23H30O5/c1-13(2)9-16-10-23(7-5-15(6-8-23)14(3)4)28-22-18(12-25)20(26)17(11-24)21(27)19(16)22/h5,7,11-16,26-27H,6,8-10H2,1-4H3

InChIKey:
IGHWKBGONDMTMG-UHFFFAOYSA-N

DeepSMILES:
O=CccOCCCCC=C6))CC)C)))))CCc6ccc%10O))C=O)))O)))CCC)C

Functional groups:
CC=CC, cC=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2(CCC1)CCc1ccccc1O2

Scaffold Graph/Node level:
C1CCC2(CC1)CCC1CCCCC1O2

Scaffold Graph level:
C1CCC2(CC1)CCC1CCCCC1C2

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzopyrans

ClassyFire Subclass: 1-benzopyrans

NP Classifier Biosynthetic pathway: Polyketides, Terpenoids

NP Classifier Superclass: Phloroglucinols

NP Classifier Class: Phloroglucinol-terpene hybrids

NP-Likeness score: 2.337

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Chemical structure download