Drug Information
General Information of This Drug
| Drug ID | DRG00085 | |||||
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| Drug Name | 1,4-dihydroxyanthraquinone (quinizarin) derivative | |||||
| Synonyms |
Quinizarin; 1,4-Dihydroxyanthraquinone; 81-64-1; 1,4-dihydroxyanthracene-9,10-dione; Quinizarine; Chinizarin; Solvent Orange 86; 1,4-Dihydroxyanthrachinon; Smoke Orange R; 1,4-Dihydroxy-9,10-anthraquinone; Macrolex Orange GG; 9,10-Anthracenedione, 1,4-dihydroxy-; Anthraquinone, 1,4-dihydroxy-; 1,4-Dioxyanthraquinone; 1,4-Dihydroxyanthra-9,10-quinone; 103220-12-8; 1,4-Doa; C.I. 58050; 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE; NSC 15367; NSC 646569; CHEBI:37487; NSC-15367; NSC-646569; CHEMBL17594; 8S496ZV3CS; DTXSID8044464; DIHYDROXYANTHRAQUINONE, 1,4-; MFCD00001209; NSC646569; 9, 1,4-dihydroxy-; 1,4-dihydroxy-9,10-dihydroanthracene-9,10-dione; 1,4-Dihydroxy-anthraquinone; 1,4-Doa [Russian]; WLN: L C666 BV IVJ DQ GQ; CCRIS 3524; HSDB 5242; 1,4-Dioxyanthraquinone [Russian]; 1,4-Dihydroxyanthrachinon [Czech]; EINECS 201-368-7; UNII-8S496ZV3CS; CI 58050; AI3-17616; 1,4-Dihydroxy-9,10-anthraquinone; 1,4-Dihydroxyanthraquinone; Smoke Orange R; Quinizarine; 4,9-dihydroxy-1,10-anthraquinone; 9,10-Dihydroxy-1,4-anthraquinone; Quinizarin, 96%; Solvent Orange 86; QUINIZARIN [MI]; EC 201-368-7; 1,4 Dihydroxy-Anthraquinone; SCHEMBL160038; MEGxp0_001867; SCHEMBL2639287; DTXCID6024464; ACon1_000101; HY-D0226; NSC15367; NSC40899; Tox21_302041; BBL010354; BDBM50240382; CCG-48149; NSC-40899; NSC229036; STK264108; 1,4-dihydroxy-anthracene-9,10-dione; AKOS001595052; 1,4-Dihydroxy-9,10-anthracene-dione; 1,4-Dihydroxyanthra-9,10-quinone #; 9,10-Anthraquinone, 1,4-dihydroxy-; NSC-229036; Quinizarin; 1,4-Dihydroxyanthraquinone; CAS-81-64-1; NCGC00160196-01; NCGC00160196-02; NCGC00255951-01; AC-11267; AS-14244; NCI60_001089; CS-0010138; D0243; FT-0657575; NS00003772; F87345; EN300-6486266; A840176; AE-641/02529036; Q906609; SR-01000108129; 1,4-DIHYDROXY-9,10-ANTHRACENEDIONE [HSDB]; doi:10.14272/GUEIZVNYDFNHJU-UHFFFAOYSA-N.1; SR-01000108129-1; SR-01000637713-1; W-104202; F1565-0160; 1,4-Dihydroxyanthraquinone, purum, >=98.0% (HPLC), powder, red-brown; InChI=1/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16
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| Target(s) | DNA topoisomerase 1 (TOP1); Human Deoxyribonucleic acid (hDNA) | Target Info | ||||
| Structure |
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| Formula |
C14H8O4
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| #Ro5 Violations (Lipinski): 0 | Molecular Weight (mw) | 240.21 | ||||
| Lipid-water partition coefficient (xlogp) | 3.7 | |||||
| Hydrogen Bond Donor Count (hbonddonor) | 2 | |||||
| Hydrogen Bond Acceptor Count (hbondacc) | 4 | |||||
| Rotatable Bond Count (rotbonds) | 0 | |||||
| PubChem CID | ||||||
| Canonical smiles |
C1=CC=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O
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| InChI |
InChI=1S/C14H8O4/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-6,15-16H
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| InChIKey |
GUEIZVNYDFNHJU-UHFFFAOYSA-N
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| IUPAC Name |
1,4-dihydroxyanthracene-9,10-dione
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Each Peptide-drug Conjugate Related to This Drug