Siamenol
PubChem CID: 477436
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| Compound Synonyms | Siamenol, CHEBI:66479, 6-methyl-3-(3-methylbut-2-enyl)-9H-carbazol-2-ol, 6-methyl-3-(3-methylbut-2-en-1-yl)-9H-carbazol-2-ol, CHEMBL444482, SCHEMBL3127873, 264622-44-8, 6-Methyl-3-(3-methyl-but-2-enyl)-9H-carbazol-2-ol, Q27135080 |
|---|---|
| Topological Polar Surface Area | 36.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 374.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methyl-3-(3-methylbut-2-enyl)-9H-carbazol-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C18H19NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BBPNJGRZPSCZBB-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -4.915 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.269 |
| Compound Name | Siamenol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 265.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.147 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 265.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1858072 |
| Inchi | InChI=1S/C18H19NO/c1-11(2)4-6-13-9-15-14-8-12(3)5-7-16(14)19-17(15)10-18(13)20/h4-5,7-10,19-20H,6H2,1-3H3 |
| Smiles | CC1=CC2=C(C=C1)NC3=C2C=C(C(=C3)O)CC=C(C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Siamensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all