Summary

IMPPAT Phytochemical identifier: IMPHY014169

Phytochemical name: euglobal T1

Synonymous chemical names:
euglobal t1

External chemical identifiers:
CID:10407822, ChEMBL:CHEMBL465249, ZINC:ZINC000015210145, SureChEMBL:SCHEMBL95703

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Chemical structure information

SMILES:
O=Cc1c(O)c2C[C@H]3C[C@@H](C=C[C@]3(Oc2c(c1O)C(=O)CC(C)C)C)C(C)C

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

InChIKey:
JXMFDZNLCLUMOF-GGOJBBCOSA-N

DeepSMILES:
O=CccO)cC[C@H]C[C@@H]C=C[C@]6Oc%10cc%14O))C=O)CCC)C)))))))C))))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: 2.487

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Chemical structure download