Summary

IMPPAT Phytochemical identifier: IMPHY007989

Phytochemical name: euglobal IIC

Synonymous chemical names:
euglobal iic

External chemical identifiers:
CID:11728770, ChEMBL:CHEMBL454050, ChEBI:175086, ZINC:ZINC000015210063, SureChEMBL:SCHEMBL96141

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Chemical structure information

SMILES:
O=Cc1c2O[C@]3(C)C=C[C@H](C[C@@H]3Cc2c(c(c1O)C(=O)CC(C)C)O)C(C)C

InChI:
InChI=1S/C23H30O5/c1-12(2)8-18(25)19-20(26)16-10-15-9-14(13(3)4)6-7-23(15,5)28-22(16)17(11-24)21(19)27/h6-7,11-15,26-27H,8-10H2,1-5H3/t14-,15-,23-/m1/s1

InChIKey:
YGCRQAOHADEOEC-GGOJBBCOSA-N

DeepSMILES:
O=CccO[C@]C)C=C[C@H]C[C@@H]6Cc%10ccc%14O))C=O)CCC)C)))))O))))))CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC2Oc3ccccc3CC2CC1

Scaffold Graph/Node level:
C1CCC2OC3CCCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCCC3CC2C1

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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: 2.474

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Chemical structure download