Summary

IMPPAT Phytochemical identifier: IMPHY008119

Phytochemical name: Erioflorin

Synonymous chemical names:
erioflorin

External chemical identifiers:
CID:5382553, ChEMBL:CHEMBL1968292, ZINC:ZINC000005085855

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Chemical structure information

SMILES:
C/C/1=C[C@H]2OC(=O)C(=C)[C@@H]2[C@H](OC(=O)C(=C)C)C[C@@]2([C@@H](C[C@@H]1O)O2)C

InChI:
InChI=1S/C19H24O6/c1-9(2)17(21)24-14-8-19(5)15(25-19)7-12(20)10(3)6-13-16(14)11(4)18(22)23-13/h6,12-16,20H,1,4,7-8H2,2-3,5H3/b10-6+/t12-,13+,14+,15+,16-,19+/m0/s1

InChIKey:
BUIOBTSUIYLOKG-VKGAXADOSA-N

DeepSMILES:
C/C=C[C@H]OC=O)C=C)[C@@H]5[C@H]OC=O)C=C)C))))C[C@@][C@@H]C[C@@H]%13O)))O3))C

Functional groups:
C/C(C)=CC, C=C(C)C(=O)OC, C=C1CCOC1=O, CO, C[C@H]1O[C@@]1(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C=CCCC3OC3CCC12

Scaffold Graph/Node level:
CC1C(O)OC2CCCCC3OC3CCC21

Scaffold Graph level:
CC1CC2CCCCC3CC3CCC2C1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Terpene lactones

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Sesquiterpenoids

NP Classifier Class: Germacrane sesquiterpenoids

NP-Likeness score: 3.485

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Chemical structure download