(3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole
PubChem CID: 37888682
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| Compound Synonyms | C23H25NO, CHEMBL2402943, SCHEMBL18488200 |
|---|---|
| Topological Polar Surface Area | 25.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Prediction Hob | 1.0 |
| Xlogp | 6.6 |
| Molecular Formula | C23H25NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | HTNVFUBCWIYPJN-HSZRJFAPSA-N |
| Fcsp3 | 0.3043478260869565 |
| Logs | -3.739 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.233 |
| Compound Name | (3R)-3,5-dimethyl-3-(4-methylpent-3-enyl)-11H-pyrano[3,2-a]carbazole |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 331.194 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 331.194 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 331.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.2587458 |
| Inchi | InChI=1S/C23H25NO/c1-15(2)8-7-12-23(4)13-11-18-21-19(14-16(3)22(18)25-23)17-9-5-6-10-20(17)24-21/h5-6,8-11,13-14,24H,7,12H2,1-4H3/t23-/m1/s1 |
| Smiles | CC1=CC2=C(C3=C1O[C@](C=C3)(C)CCC=C(C)C)NC4=CC=CC=C42 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients