(3R)-9-methoxy-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
PubChem CID: 71716235
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| Compound Synonyms | CHEMBL2323764 |
|---|---|
| Topological Polar Surface Area | 34.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 595.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | O42713 |
| Iupac Name | (3R)-9-methoxy-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C24H27NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JYCMSEXIUYQQTJ-XMMPIXPASA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -7.009 |
| Rotatable Bond Count | 4.0 |
| Logd | 5.217 |
| Compound Name | (3R)-9-methoxy-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 361.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 361.204 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 361.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.3315032962962965 |
| Inchi | InChI=1S/C24H27NO2/c1-15(2)7-6-11-24(4)12-10-19-22-20(13-16(3)23(19)27-24)18-9-8-17(26-5)14-21(18)25-22/h7-10,12-14,25H,6,11H2,1-5H3/t24-/m1/s1 |
| Smiles | CC1=CC2=C(C3=C1O[C@](C=C3)(C)CCC=C(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;npass_chem_all