Daibucarboline A
PubChem CID: 56649389
Connections displayed (default: 10).
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| Compound Synonyms | daibucarboline A, CHEMBL1927942, CHEBI:69067, 1-((4-hydroxyphenyl)methyl)-3-methoxy-9H-pyrido(3,4-b)indol-6-ol, 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol, BDBM50359988, Q27137407 |
|---|---|
| Topological Polar Surface Area | 78.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 427.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P29477 |
| Iupac Name | 1-[(4-hydroxyphenyl)methyl]-3-methoxy-9H-pyrido[3,4-b]indol-6-ol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C19H16N2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JKRLKWREOILLPH-UHFFFAOYSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -2.504 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.577 |
| Compound Name | Daibucarboline A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 320.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 320.116 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 320.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.652090933333333 |
| Inchi | InChI=1S/C19H16N2O3/c1-24-18-10-15-14-9-13(23)6-7-16(14)21-19(15)17(20-18)8-11-2-4-12(22)5-3-11/h2-7,9-10,21-23H,8H2,1H3 |
| Smiles | COC1=NC(=C2C(=C1)C3=C(N2)C=CC(=C3)O)CC4=CC=C(C=C4)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
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