Isomurrayafoline B
PubChem CID: 375146
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| Compound Synonyms | Isomurrayafoline B, 107903-15-1, 7-methoxy-3-methyl-8-(3-methylbut-2-enyl)-9H-carbazol-2-ol, Isomurrayafoline-B, NSC654280, 7-methoxy-3-methyl-8-(3-methylbut-2-en-1-yl)-9H-carbazol-2-ol, CHEMBL507794, HEA90315, AKOS040763213, NSC-654280, NCI60_018844, CS-0858268, F92815 |
|---|---|
| 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 |
| Uniprot Id | n.a. |
| Iupac Name | 7-methoxy-3-methyl-8-(3-methylbut-2-enyl)-9H-carbazol-2-ol |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C19H21NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XFLPKTCBCLWABD-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -3.98 |
| Rotatable Bond Count | 3.0 |
| Logd | 4.092 |
| Compound Name | Isomurrayafoline 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)5-6-14-18(22-4)8-7-13-15-9-12(3)17(21)10-16(15)20-19(13)14/h5,7-10,20-21H,6H2,1-4H3 |
| Smiles | CC1=CC2=C(C=C1O)NC3=C2C=CC(=C3CC=C(C)C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Euchrestifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all