Questiomycin A
PubChem CID: 72725
Connections displayed (default: 10).
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| Compound Synonyms | 2-Amino-3H-phenoxazin-3-one, Questiomycin A, 1916-59-2, 2-Aminophenoxazin-3-one, 3-Aminophenoxazone, 2-Aminophenoxazon, 2-Aminophenoxazone, Isophenoxazine, 2-Amino-3-phenoxazone, 3H-Phenoxazin-3-one, 2-amino-, AV toxin C, 2-aminophenoxazine-3-one, 2-amino-phenoxazin-3-one, NSC 94945, BRN 0014215, MLS000736964, CHEBI:17293, Acrospermum viticola toxin C, J4CM69VF7H, DTXSID60172691, 4-27-00-05519 (Beilstein Handbook Reference), NSC-94945, SMR000528446, Questinomycine A, Questiomycin A?, 2-Aminophenoxazinone, Phx-3 cpd, 2-amino-3-phenoxazinone, 2-azanylphenoxazin-3-one, Acrospermumviticola toxin C, UNII-J4CM69VF7H, NCIOpen2_006212, cid_72725, CHEMBL146710, SCHEMBL2609261, DTXCID4095182, BDBM76155, RDJXPXHQENRCNG-UHFFFAOYSA-N, HMS2270F19, BAA91659, HY-N8439, NSC94945, MFCD00207317, 2-acetylamino-(3h)-phenoxazin-3-one, AKOS027339724, NCGC00246903-01, AS-47041, CS-0144213, C02161, F11662, EN300-5450524, BRD-K66640612-001-05-8, Q15424786, Z1509382459, 3,4-Dihydro-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2H-1,4-benzoxazine, 690-502-1 |
|---|---|
| Topological Polar Surface Area | 64.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 434.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a., Q03164, P46063, B2RXH2, P04406, P51151, P10636, P00352, Q962Y6, Q9F4F7, Q194T2, O97447, Q9Y468, P06746, O75164, Q16236, P10696, P09923, P05186, Q9UIF8, Q96QE3, P24822, P11473, Q8IL88, O89049, P39748, Q9UNA4, Q9Y253, Q9UBT6, P84022, P08659, Q8IUX4, O75496, Q9HC16, Q99700, Q13526, Q77YF9, P01215, P14902, Q9NUW8, O75874, Q9NR56 |
| Iupac Name | 2-aminophenoxazin-3-one |
| Prediction Hob | 1.0 |
| Target Id | NPT47, NPT48, NPT1224, NPT1038, NPT537, NPT51, NPT94, NPT864, NPT59, NPT798, NPT801, NPT802 |
| Xlogp | 1.0 |
| Molecular Formula | C12H8N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RDJXPXHQENRCNG-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.786 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.763 |
| Compound Name | Questiomycin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 212.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 212.059 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 212.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C12H8N2O2/c13-7-5-9-12(6-10(7)15)16-11-4-2-1-3-8(11)14-9/h1-6H,13H2 |
| Smiles | C1=CC=C2C(=C1)N=C3C=C(C(=O)C=C3O2)N |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Solida (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Daniellia Oliveri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Dimocarpus Longan (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Gentiana Siphonantha (Plant) Rel Props:Source_db:npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Physocarpus Opulifolius (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Picea Sitchensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all