1,2-Methylenedioxy-3,10,11-trimethoxynoraporphine
PubChem CID: 44448151
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| Compound Synonyms | 1,2-Methylenedioxy-3,10,11-trimethoxynoraporphine, CHEMBL254551, AKOS040763111, FS-8628 |
|---|---|
| Topological Polar Surface Area | 58.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (12S)-7,17,18-trimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaene |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C20H21NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | CHTZCWLHHIYAJY-LBPRGKRZSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.162 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.504 |
| Compound Name | 1,2-Methylenedioxy-3,10,11-trimethoxynoraporphine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 355.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 355.142 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 355.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.9194564615384624 |
| Inchi | InChI=1S/C20H21NO5/c1-22-13-5-4-10-8-12-15-11(6-7-21-12)17(23-2)20-19(25-9-26-20)16(15)14(10)18(13)24-3/h4-5,12,21H,6-9H2,1-3H3/t12-/m0/s1 |
| Smiles | COC1=C(C2=C(C[C@H]3C4=C(CCN3)C(=C5C(=C42)OCO5)OC)C=C1)OC |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cassytha Filiformis (Plant) Rel Props:Source_db:cmaup_ingredients