O-Methylmurrayamine A
PubChem CID: 14892681
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| Compound Synonyms | O-Methylmurrayamine A, CHEMBL3973266, AKOS040763274, 134779-20-7, 9-Methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole |
|---|---|
| Topological Polar Surface Area | 34.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C19H19NO2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDQWCFKJPYSDDG-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -5.696 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.754 |
| Compound Name | O-Methylmurrayamine A |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 293.142 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 293.142 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 293.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.959641927272728 |
| Inchi | InChI=1S/C19H19NO2/c1-11-9-15-13-6-5-12(21-4)10-16(13)20-17(15)14-7-8-19(2,3)22-18(11)14/h5-10,20H,1-4H3 |
| Smiles | CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C=CC(=C4)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients