Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0XJ7I
|
|||
| Former ID |
DNC001163
|
|||
| Drug Name |
Purpurin
|
|||
| Synonyms |
PURPURIN; 81-54-9; 1,2,4-Trihydroxyanthraquinone; Purpurine; Verantin; Hydroxylizaric acid; Smoke Brown G; 1,2,4-trihydroxyanthracene-9,10-dione; 1,2,4-Trihydroxy-9,10-anthracenedione; 1,2,4-Trihydroxy-9,10-anthraquinone; 1,2,4-Trihydroxyanthrachinon; C.I. 58205; 9,10-Anthracenedione, 1,2,4-trihydroxy-; 1,2,4-Trihydroxyanthra-9,10-quinone; UNII-L1GT81LS6N; Anthraquinone, 1,2,4-trihydroxy-; C.I. 75410; CHEBI:8645; CCRIS 3527; C.I. 1037; EINECS 201-359-8; NSC 10447; 1,2,4-Trihydroxyanthrachinon [Czech]; BRN 1887127; L1GT81LS6N
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C14H8O5
|
|||
| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O
|
|||
| InChI |
1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
|
|||
| InChIKey |
BBNQQADTFFCFGB-UHFFFAOYSA-N
|
|||
| CAS Number |
CAS 81-54-9
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID |
12581, 539798, 597170, 3138972, 5413272, 8136928, 8154323, 10536441, 11372932, 11404502, 11446685, 11483869, 11487853, 11491762, 11537896, 12157556, 15196889, 17487300, 22390827, 24347590, 24853730, 24888018, 25621695, 26612882, 26679823, 26749352, 26753755, 29225636, 48110781, 48414398, 49870676, 50107579, 51459511, 53789470, 57323637, 58033347, 85089028, 85272408, 87574770, 88123417, 89850279, 103246639, 104312769, 106029925, 124556938, 124633318, 124800100, 125374662, 126522377, 126604434
|
|||
| ChEBI ID |
CHEBI:8645
|
|||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Human immunodeficiency virus Integrase (HIV IN) | Target Info | Inhibitor | [1] |
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Identification of HIV-1 integrase inhibitors based on a four-point pharmacophore. Antivir Chem Chemother. 1998 Nov;9(6):461-72. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.