Oroidin
PubChem CID: 6312649
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| Compound Synonyms | Oroidin, 34649-22-4, Oroidine, UNII-PF75E92XKM, PF75E92XKM, 7-(15)N-oroidin, OROIDIN [MI], N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide, CHEMBL397591, CHEBI:70037, 1H-Pyrrole-2-carboxamide, N-(3-(2-amino-1H-imidazol-4-yl)-2-propenyl)-4,5-dibromo-, (E)-, 1H-PYRROLE-2-CARBOXAMIDE, N-((2E)-3-(2-AMINO-1H-IMIDAZOL-4-YL)-2-PROPENYL)-4,5-DIBROMO-, oroidin base, N-((E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl)-4,5-dibromo-1H-pyrrole-2-carboxamide, MLS001250229, SCHEMBL12597862, DTXSID001020635, BDBM50220547, SMR001216083, Q15425298, (E)-N-(3-(2-Amino-1H-imidazol-5-yl)allyl)-4,5-dibromo-1H-pyrrole-2-carboxamide, 1H-Pyrrole-2-carboxamide, N-[(2E)-3-(2-amino-1H-imidazol-5-yl)-2-propenyl]-4,5-dibromo-, 4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-amino-1H-imidazol-4-yl)-allyl]-amide, 4,5-Dibromo-1H-pyrrole-2-carboxylic acid [3-(2-amino-3H-imidazol-4-yl)-allyl]-amide, N-[(E)-3-(2-amino-1H-imidazol-5-yl)allyl]-4,5-dibromo-1H-pyrrole-2-carboxamide |
|---|---|
| Topological Polar Surface Area | 99.6 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 354.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | Q02750, P28482, Q965D5, n.a., Q09470, P16389, P22001, P22459, P22460, P17658, P15384, P15385, P17659, P63142 |
| Iupac Name | N-[(E)-3-(2-amino-1H-imidazol-5-yl)prop-2-enyl]-4,5-dibromo-1H-pyrrole-2-carboxamide |
| Prediction Hob | 1.0 |
| Target Id | NPT491, NPT3568, NPT2854, NPT3839, NPT3840 |
| Xlogp | 2.0 |
| Molecular Formula | C11H11Br2N5O |
| Prediction Swissadme | 0.0 |
| Inchi Key | QKJAXHBFQSBDAR-OWOJBTEDSA-N |
| Fcsp3 | 0.0909090909090909 |
| Logs | -2.841 |
| Rotatable Bond Count | 4.0 |
| Logd | 1.835 |
| Compound Name | Oroidin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 388.931 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.933 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 389.05 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.2960898842105255 |
| Inchi | InChI=1S/C11H11Br2N5O/c12-7-4-8(18-9(7)13)10(19)15-3-1-2-6-5-16-11(14)17-6/h1-2,4-5,18H,3H2,(H,15,19)(H3,14,16,17)/b2-1+ |
| Smiles | C1=C(NC(=C1Br)Br)C(=O)NC/C=C/C2=CN=C(N2)N |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Vestita (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cestrum Nocturnum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Echinocystis Fabacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Magnolia Praecocissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Monochaetum Vulcanicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Rhododendron Ovatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Veratrum Californicum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Vernonia Arctioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all