Demethoxyisogemichalcone C

Base Information

• Chemical Name: Demethoxyisogemichalcone C
• CAS No.: 376362-05-9
• Molecular Formula: C29H26O8
• DSSTox Substance ID: DTXSID101101038
• Nikkaji Number: J2.152.688F,J1.623.748E
• Wikidata: Q76415309
• Pharos Ligand ID: P848Z3MAZKBN
• Metabolomics Workbench ID: 26598
• ChEMBL ID: CHEMBL514745
• Mol file: 376362-05-9.mol

Synonyms:Demethoxyisogemichalcone C;CHEMBL514745;3'-(4-Coumaroyloxy-3-methylbutyl-2(E)-enyl)-2,4,2',4'-tetrahydroxychalcone;CHEBI:140133;DTXSID101101038;BDBM50250979;LMPK12120122;(2E)-4-[3-[(2E)-3-(2,4-Dihydroxyphenyl)-1-oxo-2-propen-1-yl]-2,6-dihydroxyphenyl]-2-methyl-2-buten-1-yl (2E)-3-(4-hydroxyphenyl)-2-propenoate;[(E)-4-[3-[(E)-3-(2,4-dihydroxyphenyl)prop-2-enoyl]-2,6-dihydroxyphenyl]-2-methylbut-2-enyl] (E)-3-(4-hydroxyphenyl)prop-2-enoate;3''-[gamma-hydroxymethyl-(E)-gamma-methylallyl]-2,4,2'',4''-tetrahydroxychalcone 11''-O-coumarate;376362-05-9;4-Hydroxy-trans-cinnamic acid 2-methyl-4-[2,6-dihydroxy-3-[(E)-2,4-dihydroxycinnamoyl]phenyl]-2-butenyl ester;4-Hydroxy-trans-cinnamic acid 2-methyl-4-[2,6-dihydroxy-3-[3-(2,4-dihydroxyphenyl)acryloyl]phenyl]-2-butenyl ester

Chemical Property of Demethoxyisogemichalcone C

Chemical Property:

• XLogP3: 5.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 10
• Exact Mass: 502.16276778
• Heavy Atom Count: 37
• Complexity: 841

Purity/Quality:

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CC(=CCC1=C(C=CC(=C1O)C(=O)C=CC2=C(C=C(C=C2)O)O)O)COC(=O)C=CC3=CC=C(C=C3)O
• Isomeric SMILES: C/C(=C\CC1=C(C=CC(=C1O)C(=O)/C=C/C2=C(C=C(C=C2)O)O)O)/COC(=O)/C=C/C3=CC=C(C=C3)O

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