Summary

IMPPAT Phytochemical identifier: IMPHY012894

Phytochemical name: Derricidin

Synonymous chemical names:
derricidin

External chemical identifiers:
CID:5961410, ChEMBL:CHEMBL450771, ZINC:ZINC000013483573, SureChEMBL:SCHEMBL18265486

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Chemical structure information

SMILES:
CC(=CCOc1ccc(c(c1)O)C(=O)/C=C/c1ccccc1)C

InChI:
InChI=1S/C20H20O3/c1-15(2)12-13-23-17-9-10-18(20(22)14-17)19(21)11-8-16-6-4-3-5-7-16/h3-12,14,22H,13H2,1-2H3/b11-8+

InChIKey:
DGUGLZYULGVSIZ-DHZHZOJOSA-N

DeepSMILES:
CC=CCOcccccc6)O))C=O)/C=C/cccccc6))))))))))))))))C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(C=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 0.699

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Chemical structure download