Cochinchinenin B
PubChem CID: 23634523
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| Compound Synonyms | COCHINCHINENIN B, C83SC7337B, UNII-C83SC7337B, CHEMBL254648, 956103-77-8, (+)-3-(5-(3-(4-Hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)-2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone, 1-Propanone, 3-(5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)-2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)-, (+)-, 3-(5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)-2,4-dimethoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one, 3-[5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-2,4-dimethoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one, 3-{5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-2,4-dimethoxyphenyl}-1-(4-hydroxyphenyl)propan-1-one, BDBM50222763, 1-[5-(2,4-dimethoxy-4-hydroxydihydrochalconyl)]-1-(4-hydroxyphenyl)-3-(2-methoxy-4-hydroxyphenyl)propane |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 745.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00734, P27487 |
| Iupac Name | 3-[5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]-2,4-dimethoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 0.0 |
| Target Id | NPT670 |
| Xlogp | 6.6 |
| Molecular Formula | C33H34O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QFWXEYRQNKRQDH-UHFFFAOYSA-N |
| Fcsp3 | 0.2424242424242424 |
| Logs | -3.815 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.118 |
| Compound Name | Cochinchinenin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 542.23 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 542.23 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 542.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.989093600000001 |
| Inchi | InChI=1S/C33H34O7/c1-38-31-19-27(36)15-8-23(31)9-16-28(21-4-11-25(34)12-5-21)29-18-24(32(39-2)20-33(29)40-3)10-17-30(37)22-6-13-26(35)14-7-22/h4-8,11-15,18-20,28,34-36H,9-10,16-17H2,1-3H3 |
| Smiles | COC1=CC(=C(C=C1CCC(=O)C2=CC=C(C=C2)O)C(CCC3=C(C=C(C=C3)O)OC)C4=CC=C(C=C4)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all