Cochinchinenin C
PubChem CID: 23634528
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| Compound Synonyms | COCHINCHINENIN C, 956103-79-0, CochinchineninC, A9CME97XV3, 3-[4-hydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-2-methoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one, CHEMBL254649, (+)-3-(4-Hydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl)-2-methoxyphenyl)-1-(4-hydroxyphenyl)-1-propanone, 1-Propanone, 3-(4-hydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl)-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (+)-, 3-(4-hydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl)-2-methoxyphenyl)-1-(4-hydroxyphenyl)propan-1-one, 3-{4-HYDROXY-5-[3-(4-HYDROXY-2-METHOXYPHENYL)-1-(4-METHOXYPHENYL)PROPYL]-2-METHOXYPHENYL}-1-(4-HYDROXYPHENYL)PROPAN-1-ONE, UNII-A9CME97XV3, HY-N2452, BDBM50222767, AKOS030573609, FS-9813, DA-62434, CS-0022680, 1-[5-(2-methoxy-4,4-dihydroxydihydrochalconyl)]-1-(4-methoxyphenyl)-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, P02768 |
| Iupac Name | 3-[4-hydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-2-methoxyphenyl]-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 6.6 |
| Molecular Formula | C33H34O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SLJWKFROLINAGW-UHFFFAOYSA-N |
| Fcsp3 | 0.2424242424242424 |
| Logs | -4.075 |
| Rotatable Bond Count | 12.0 |
| Logd | 4.166 |
| Compound Name | Cochinchinenin C |
| 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/c1-38-27-14-7-21(8-15-27)28(16-9-23-6-13-26(35)19-32(23)39-2)29-18-24(33(40-3)20-31(29)37)10-17-30(36)22-4-11-25(34)12-5-22/h4-8,11-15,18-20,28,34-35,37H,9-10,16-17H2,1-3H3 |
| Smiles | COC1=CC=C(C=C1)C(CCC2=C(C=C(C=C2)O)OC)C3=C(C=C(C(=C3)CCC(=O)C4=CC=C(C=C4)O)OC)O |
| 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