FLV
FLAVIOLIN
| Created: | 2004-06-14 |
| Last modified: | 2020-06-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 21 |
| Chiral Atom Count | 0 |
| Bond Count | 22 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | FLAVIOLIN |
| Synonyms | 2,5,7-TRIHYDROXYNAPHTHOQUINONE |
| Systematic Name (OpenEye OEToolkits) | 2,5,7-trihydroxynaphthalene-1,4-dione |
| Formula | C10 H6 O5 |
| Molecular Weight | 206.152 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C2c1c(O)cc(O)cc1C(=O)C(O)=C2 |
| SMILES | CACTVS | 3.341 | Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1 |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O |
| Canonical SMILES | CACTVS | 3.341 | Oc1cc(O)c2C(=O)C=C(O)C(=O)c2c1 |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | c1c(cc(c2c1C(=O)C(=CC2=O)O)O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-12,14H |
| InChIKey | InChI | 1.03 | RROPNRTUMVVUED-UHFFFAOYSA-N |
Drug Info: DrugBank
| DrugBank ID | DB02521 |
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| Name | Flaviolin |
| Groups | experimental |
| Synonyms |
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| Categories |
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| CAS number | 479-05-0 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Prenyltransferase | MSEAADVERVYAAMEEAAGLLGVACARDKIYPLLSTFQDTLVEGGSVVVF... | unknown | |
| Putative cytochrome P450 | MTEETISQAVPPVRDWPAVDLPGSDFDPVLTELMREGPVTRISLPNGEGW... | unknown |
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
