General Information of the Compound
| Compound ID |
CP0113897
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| Compound Name |
BILIRUBIN
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| Synonyms |
21H-Biline-8,12-dipropanoic acid, 2,17-diethenyl-1,10,19,22,23,24-hexahydro-3,7,13,18-tetramethyl-1,19-dioxo-
635-65-4
AI3-23078
BPYKTIZUTYGOLE-IFADSCNNSA-N
BRN 0074376
Biline-8,12-dipropionic acid, 1,10,19,22,23,24-hexahydro-2,7,13,17-tetramethyl-1,19-dioxo-3,18-divinyl-
Bilirubin IX-alpha
Bilirubin IXalpha
Bilirubin, 99%
CHEBI:16990
EINECS 211-239-7
Hematoidin
Hemetoidin
MFCD00005499
NSC 26685
PHEOPHYTIN
Principal bile pigment
RFM9X3LJ49
UNII-RFM9X3LJ49
bilirubin
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| Structure |
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| Formula |
C33H36N4O6
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| Molecular Weight |
584.673
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| Canonical SMILES |
CC1=C(C=C)\C(NC1=O)=C\c1[nH]c(Cc2[nH]c(\C=C3/NC(=O)C(C=C)=C3C)c(C)c2CCC(O)=O)c(CCC(O)=O)c1C
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| InChI |
InChI=1S/C33H36N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h7-8,13-14,34-35H,1-2,9-12,15H2,3-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)/b26-13-,27-14-
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| InChIKey |
BPYKTIZUTYGOLE-IFADSCNNSA-N
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| CAS |
11053-42-2
18422-02-1
19245-52-4
39372-61-7
493-86-7
55527-40-7
917-01-1
93891-87-3
635-65-4
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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: PT03566, Solute carrier organic anion transporter family member 1B1
Protein ID: PT03657, Solute carrier organic anion transporter family member 1B3
Clinical Information about the Compound
Drug 1 ( bilirubin )
| Drug Name | bilirubin | ||
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