Necatorone
PubChem CID: 616831
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| Compound Synonyms | Necatorone, 10-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,5,7,9,12,14-heptaene-4,11-dione, 10-hydroxy-8,16-diazatetracyclo(7.7.1.02,7.013,17)heptadeca-1(17),2,5,7,9,12,14-heptaene-4,11-dione, CHEBI:200469, NWSKTQXEZVERBX-UHFFFAOYSA-N, 5,10-Dihydroxy-6H-pyrido[4,3,2-kl]acridin-6-one #, 5,10-Dihydroxydibenzo[de,h][1,6]naphthyridin-6-one (necatorone) |
|---|---|
| Topological Polar Surface Area | 78.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 814.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 10-hydroxy-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,5,7,9,12,14-heptaene-4,11-dione |
| Prediction Hob | 1.0 |
| Xlogp | -0.4 |
| Molecular Formula | C15H8N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OBTQJIHKPYUWHM-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.629 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.487 |
| Compound Name | Necatorone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 264.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4452879999999997 |
| Inchi | InChI=1S/C15H8N2O3/c18-8-1-2-10-9(6-8)13-12-7(3-4-16-13)5-11(19)15(20)14(12)17-10/h1-6,16,20H |
| Smiles | C1=CC2=NC3=C(C(=O)C=C4C3=C(C2=CC1=O)NC=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Supina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients