WormBase Tree Display for Molecule: WBMol:00001920
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| WBMol:00001920 | Public_name | Doxycycline | ||||
|---|---|---|---|---|---|---|
| Formula | C22H24N2O8 | |||||
| Monoisotopic_mass | 444.153 | |||||
| IUPAC | (4S,4aR,5S,5aR,6R,12aS)-4-(dimethylamino)-3,5,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide | |||||
| SMILES | [H][C@@]12[C@@H](C)c3cccc(O)c3C(=O)C1=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@]1([H])[C@H]2O | |||||
| InChi | InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31)/t7-,10+,14+,15-,17-,22-/m0/s1 | |||||
| InChiKey | JBIWCJUYHHGXTC-AKNGSSGZSA-N | |||||
| DB_info | Database | NLM_MeSH | UID | D004318 | ||
| CTD | ChemicalID | D004318 | ||||
| ChEBI | CHEBI_ID | 50845 | ||||
| ChemIDplus | RN | 564-25-0 | ||||
| KEGG COMPOUND | Accession_number | C06973 | ||||
| Regulate_expr_cluster | WBPaper00062456:doxycycline_downregulated_CB4856_protein | |||||
| WBPaper00062456:doxycycline_downregulated_CB4856_transcript | ||||||
| WBPaper00062456:doxycycline_downregulated_N2_protein | ||||||
| WBPaper00062456:doxycycline_downregulated_N2_transcript | ||||||
| WBPaper00062456:doxycycline_upregulated_CB4856_protein | ||||||
| WBPaper00062456:doxycycline_upregulated_CB4856_transcript | ||||||
| WBPaper00062456:doxycycline_upregulated_N2_protein | ||||||
| WBPaper00062456:doxycycline_upregulated_N2_transcript | ||||||
| Affects_phenotype_of | RNAi | WBRNAi00110215 | WBPhenotype:0002423 | Paper_evidence | WBPaper00048404 | |
| Disease_info | Modifies_disease | DOID:0050636 | ||||
| Disease_model_modifier | WBDOannot00000826 | |||||
| Interaction | WBInteraction000537492 | |||||
| WBInteraction000537493 | ||||||
| WBInteraction000537495 | ||||||
| WBInteraction000537499 | ||||||
| WBInteraction000537500 |
