Glybomine B
PubChem CID: 11208660
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| Compound Synonyms | glybomine B, 6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol, CHEMBL459130, 761436-16-2 |
|---|---|
| Topological Polar Surface Area | 45.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 418.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-3-methyl-5-(3-methylbut-2-enyl)-9H-carbazol-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C19H21NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IYAPESHZKSLHCA-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.111 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.023 |
| Compound Name | Glybomine B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 295.157 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 295.157 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 295.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.2433411272727275 |
| Inchi | InChI=1S/C19H21NO2/c1-11(2)5-6-13-18(22-4)8-7-15-19(13)14-9-12(3)17(21)10-16(14)20-15/h5,7-10,20-21H,6H2,1-4H3 |
| Smiles | CC1=CC2=C(C=C1O)NC3=C2C(=C(C=C3)OC)CC=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Montana (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all