3-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)phenyl)-1-(4-hydroxyphenyl)propan-1-one
PubChem CID: 5315988
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| Compound Synonyms | Cochinchinenin, 400603-95-4, 3-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)phenyl)-1-(4-hydroxyphenyl)propan-1-one, 3-[2,4-dihydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]phenyl]-1-(4-hydroxyphenyl)propan-1-one, 3-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-propyl)phenyl)-1-(4-hydroxyphenyl)propan-1-one, DTXSID60415696, DTXCID30366545, ARA60395, AKOS016010171 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 715.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-[2,4-dihydroxy-5-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl]phenyl]-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob | 0.0 |
| Xlogp | 5.9 |
| Molecular Formula | C31H30O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SFIYEXDIBBOYMW-UHFFFAOYSA-N |
| Fcsp3 | 0.1935483870967742 |
| Logs | -3.607 |
| Rotatable Bond Count | 10.0 |
| Logd | 3.877 |
| Compound Name | 3-(2,4-Dihydroxy-5-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)propyl)phenyl)-1-(4-hydroxyphenyl)propan-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 514.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 514.199 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 514.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.554727221052633 |
| Inchi | InChI=1S/C31H30O7/c1-38-31-17-25(34)13-6-21(31)7-14-26(19-2-9-23(32)10-3-19)27-16-22(29(36)18-30(27)37)8-15-28(35)20-4-11-24(33)12-5-20/h2-6,9-13,16-18,26,32-34,36-37H,7-8,14-15H2,1H3 |
| Smiles | COC1=C(C=CC(=C1)O)CCC(C2=CC=C(C=C2)O)C3=C(C=C(C(=C3)CCC(=O)C4=CC=C(C=C4)O)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cocculus Trilobus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients