Bioactive Compound Details

BioIDbio200047
NameCAFFEIC ACID
ChEMBL IDCHEMBL145
Molecular FormulaC9H8O4
Molecular Weight180.16
Molecular Weight (Monoisotopic)180.0423
TypeSmall molecule
Max PhasePhase 3
Target IDTar81
Target NameNone
Synonyms2-PROPENOIC ACID, 3-(3,4-DIHYDROXYPHENYL)-, (2E)-|CAFFEIC ACID|CINNAMIC ACID, 3,4-DIHYDROXY-|NSC-57197|NSC-623438|TRANS-3,4-DIHYDROXYCINNAMIC ACID|TRANS-CAFFEIC ACID|trans-Caffeate
SmilesO=C(O)/C=C/c1ccc(O)c(O)c1
InchiInChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
Inchi KeyQAIPRVGONGVQAS-DUXPYHPUSA-N
Molecular SpeciesACID
Targets254.0
Bioactivities773.0
Np Likeness Score1.12
Records Key['caffeic acid', 'Caffeic acid', 'Caffeic acid', '19, CA', '60', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'CA', 'Caffeic acid', 'caffeic acid', 'Caffeic acid', 'SI-3', '22, 3,4-dihydroxy-cinnamic acid', '51', 'Caffeic acid', 'caffeic acid', 'Caffeic acid', '9', '2', '5', 'Caffeic Acid', 'Caffeic acid', 'CA', 'Caffeic acid', 'Caf-COOH', 'Caffeic acid', 'Caffeic acid', '9', 'caffeic acid', 'CA', 'caffeic acid', 'Figure5, R1C3', '5a', 'Caffeic acid', 'Caffeic acid (37)', 'SID106262', 'Caffeic acid', '7', '2', 'Caffeic acid', 'Caffeic acid', 'caffeic acid', 'caffeic acid', '28', '14', 'caffeic acid', '16', 'Caffeic acid', 'III-1', 'CA', '24', '129', 'Caffeic acid', '1', 'Caffeic acid', '3', 'SID50104061', 'caffeic acid', 'Caffic acid', 'Caffeic acid', 'caffeic acid', 'caffeic acid', '19', 'SID26746990', 'Caffeic acid', 'Caffeic acid', 'caffeic acid', '12', 'caffeic acid', 'SID855772', 'Caffeic acid', 'caffeic acid', 'caffeic acid', '2', '5', 'caffeic acid', 'caffeic acid', '23, DOPL', 'Caffeic acid', '9', 'SID124883135', 'CA', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', '44', 'caffeic acid', 'Caffeic acid', '4b', 'Caffeic acid', 'SID56422203', '6', 'SID90340699', '41', 'CA', '28', 'caffeic acid', '4', 'Caffeic acid', '1; CA', '1', '2', 'Caffeic acid', '1', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'CA, Caffeic acid', 'caffeic acid', 'Caffeic acid', '3', 'SID50104062', 'SID124883138', 'Caffeic acid', 'SID50104064', 'SID50104065', '4', '3', '5', 'caffeic acid', '3', 'Caffeic acid', '8', 'Caffeic acid', 'Caffeic acid', 'Caffeic Acid', 'Caffeic acid', '2; CA', '22', 'Caffeic acid', '21', '14', '1', '22', 'Caffeic Acid', 'CA', 'Caffeic acid', 'Caffeic acid', 'caffeic acid', 'Caffeic acid', 'CAFFEIC ACID', 'caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', '3; CA', 'caffeic acid', '4', '25', 'Caffeic acid', 'NP-4', '5', 'Caffeic acid', 'Caffeic acid', '15', 'PHE4', 'CA', 'caffeic acid', 'Caffeic acid', 'Caf.Ac', '6', 'Table 2, R2C1', 'Caffeic acid', 'Caffeic acid', 'CA', 'caffeic acid', 'Caffeic acid', 'Caffeic acid', '11', 'CA, caffeic acid', 'SID26751505', '13', 'Caffeic acid', 'CA', 'CafA', 'Caffeic acid', '3, CA', '2', 'CA', 'SID85231345', 'CA', '4a', 'Caffeic acid', 'SID124883134', '71', '13, CA', 'CAFFEIC ACID', 'caffeic acid', 'Caffeic acid', 'SID50104063', 'Caffeic acid', 'Caffeic acid', '1', 'CAFFEIC ACID', '2', '6, CA', 'Table 1, R30C1', 'CA', 'CA', 'CaA', 'CA', 'Caffeic_aci
Records Name['3-(3,4-Dihydroxy-phenyl)-acrylic acid (caffeic acid)', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', '3-(3,4-Dihydroxy-phenyl)-acrylic acid', 'Caffeic acid', '(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid', '(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid', 'Caffeic acid', 'Caffeic acid', '3,4-dihydroxycinnamic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'caffeic acid', 'Caffeic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', '3-(3,4-dihydroxyphenyl)acrylate', 'Caffeic acid', 'caffeic acid', 'Caffeic acid', 'caffeic acid', 'Caffeic acid', '(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid', 'Caffeic Acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', '(E)-3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', '(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid', 'caffeic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', 'caffeic acid', 'Caffeic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', '(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid', 'Caffeic acid', '(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid', 'SID106262', 'Caffeic acid', 'caffeic acid', 'caffeic acid', 'Caffeic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', 'caffeic acid', '(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid', 'caffeic acid', 'caffeic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', '(E)-3-(3,4-dihydroxyphenyl)acrylic acid', 'caffeic acid', '(E)-3-(3,4-Dihydroxy-phenyl)-acrylic acid', 'caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'SID50104061', 'caffeic acid', 'Caffic acid', '(E)-3-(3,4-dihydroxyphenyl)acrylic acid', 'caffeic acid', 'caffeic acid', 'Caffeic acid', 'SID26746990', '3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', '(E)-3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', 'caffeic acid', 'SID855772', 'Caffeic acid', 'caffeic acid', 'caffeic acid', 'caffeic acid', 'caffeic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', 'caffeic acid', '(E)-3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', 'caffeic acid', 'SID124883135', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', 'Caffeic acid', '(E)-3-(3,4-dihydroxyphenyl)acrylic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', '3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', 'SID56422203', 'caffeic acid', 'SID90340699', 'trans-3-(3,4-dihydroxyphenyl)acrylic acid', 'Caffeic acid', 'caffeic acid', 'caffeic acid', 'Caffeic acid', 'Caffeic acid', 'caffeic acid', 'Caffeic Acid', 'Caffeic acid', 'Caffeic acid', 'caffeic aci
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure