Summary

IMPPAT Phytochemical identifier: IMPHY003114

Phytochemical name: Confertiflorin

Synonymous chemical names:
confertiflorin

External chemical identifiers:
CID:291096, ChEMBL:CHEMBL409627, ChEBI:3854

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Chemical structure information

SMILES:
CC(=O)O[C@H]1C[C@H](C)[C@H]2[C@@]([C@H]3[C@@H]1C(=C)C(=O)O3)(C)C(=O)CC2

InChI:
InChI=1S/C17H22O5/c1-8-7-12(21-10(3)18)14-9(2)16(20)22-15(14)17(4)11(8)5-6-13(17)19/h8,11-12,14-15H,2,5-7H2,1,3-4H3/t8-,11-,12-,14+,15+,17-/m0/s1

InChIKey:
VWBKXLDATRBPOE-VICSMPQUSA-N

DeepSMILES:
CC=O)O[C@H]C[C@H]C)[C@H][C@@][C@H][C@@H]7C=C)C=O)O5)))))C)C=O)CC5

Functional groups:
C=C1CCOC1=O, CC(=O)OC, CC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1C(=O)OC2C1CCCC1CCC(=O)C12

Scaffold Graph/Node level:
CC1C(O)OC2C1CCCC1CCC(O)C12

Scaffold Graph level:
CC1CC2C(CCCC3CCC(C)C32)C1C

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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: Pseudoguaiane sesquiterpenoids

NP-Likeness score: 3.316

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Chemical structure download