Clausamine C
PubChem CID: 10448976
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| Compound Synonyms | clausamine C, 2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one, 2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano(3,4-c)carbazol-4-one, CHEMBL517226, 205116-61-6 |
|---|---|
| Topological Polar Surface Area | 71.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2-hydroxypropan-2-yl)-6-methoxy-2,7-dihydro-1H-pyrano[3,4-c]carbazol-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C19H19NO4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | UWUXJRWRYLZZIF-UHFFFAOYSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.966 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.038 |
| Compound Name | Clausamine C |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 325.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.131 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 325.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.167290133333334 |
| Inchi | InChI=1S/C19H19NO4/c1-19(2,22)15-9-11-12(18(21)24-15)8-14(23-3)17-16(11)10-6-4-5-7-13(10)20-17/h4-8,15,20,22H,9H2,1-3H3 |
| Smiles | CC(C)(C1CC2=C3C4=CC=CC=C4NC3=C(C=C2C(=O)O1)OC)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Clausena Anisata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all