General Information of the Compound
| Compound ID |
CP0015639
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| Compound Name |
(1E,4E)-1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta-1,4-dien-3-one
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| Synonyms |
(1E,4E)-1,5-bis(4-hydroxy-3-methoxy-phenyl)penta-1,4-dien-3-one
(1E,4E)-1,5-bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
1,5-Bis(4-hydroxy-3-methoxyphenyl)-1,4-pentadien-3-one
1,5-Bis(4-hydroxy-3-methoxyphenyl)penta-1,4-dien-3-one
1,5-Bis-(4-hydroxy-3-methoxy-phenyl)-penta-1,4-dien-3-one
1,5-bis-(4-hydroxy-3-methoxyphenyl)-penta-1,4-dien-3-one
AC1O6FK4
BDBM50067028
CHEMBL128729
Go-Y022
Hylin
SCHEMBL1493282
ZINC6483730
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| Structure |
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| Formula |
C19H18O5
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| Molecular Weight |
326.348
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| Canonical SMILES |
COc1cc(\C=C\C(=O)\C=C\c2ccc(O)c(OC)c2)ccc1O
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| InChI |
InChI=1S/C19H18O5/c1-23-18-11-13(5-9-16(18)21)3-7-15(20)8-4-14-6-10-17(22)19(12-14)24-2/h3-12,21-22H,1-2H3/b7-3+,8-4+
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| InChIKey |
ISIMGBQRFXXNON-FCXRPNKRSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01107, 11-beta-hydroxysteroid dehydrogenase 1
Protein ID: PT04367, Nuclear factor erythroid 2-related factor 2
Protein ID: PT01503, Signal transducer and activator of transcription 3
Protein ID: PT01039, Tissue factor
Clinical Information about the Compound