1,2-Methylenedioxy-9-hydroxynoraporphine
PubChem CID: 3462224
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| Compound Synonyms | CHEMBL5277221, 1,2-methylenedioxy-9-hydroxynoraporphine |
|---|---|
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-16-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C17H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTSPCGWFQLHECP-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -2.423 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.345 |
| Compound Name | 1,2-Methylenedioxy-9-hydroxynoraporphine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 281.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.569385342857143 |
| Inchi | InChI=1S/C17H15NO3/c19-11-1-2-12-10(5-11)6-13-15-9(3-4-18-13)7-14-17(16(12)15)21-8-20-14/h1-2,5,7,13,18-19H,3-4,6,8H2 |
| Smiles | C1CNC2CC3=C(C=CC(=C3)O)C4=C2C1=CC5=C4OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Magnolia Coco (Plant) Rel Props:Source_db:cmaup_ingredients