Cochinchinenene B
PubChem CID: 23655936
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| Compound Synonyms | COCHINCHINENENE B, CHEMBL399481, 2-(3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl)-3-((E)-2-(4-hydroxyphenyl)ethenyl)-5-methoxyphenol, 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol, BDBM50222765, 1-[2-(5-methoxy-3,4-dihydroxystilbenyl)]-1-(4-methoxyphenyl)-3-(2-methoxy-4-hydroxyphenyl)propane, 956103-72-3 |
|---|---|
| Topological Polar Surface Area | 88.4 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 38.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 698.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00734, P27487 |
| Iupac Name | 2-[3-(4-hydroxy-2-methoxyphenyl)-1-(4-methoxyphenyl)propyl]-3-[(E)-2-(4-hydroxyphenyl)ethenyl]-5-methoxyphenol |
| Prediction Hob | 0.0 |
| Target Id | NPT670 |
| Xlogp | 7.3 |
| Molecular Formula | C32H32O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XZVDYCHPJWUZFS-QPJJXVBHSA-N |
| Fcsp3 | 0.1875 |
| Logs | -4.583 |
| Rotatable Bond Count | 10.0 |
| Logd | 4.4 |
| Compound Name | Cochinchinenene B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 512.22 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 512.22 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 512.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.393000821052633 |
| Inchi | InChI=1S/C32H32O6/c1-36-27-15-9-22(10-16-27)29(17-11-23-8-14-26(34)19-31(23)38-3)32-24(18-28(37-2)20-30(32)35)7-4-21-5-12-25(33)13-6-21/h4-10,12-16,18-20,29,33-35H,11,17H2,1-3H3/b7-4+ |
| Smiles | COC1=CC=C(C=C1)C(CCC2=C(C=C(C=C2)O)OC)C3=C(C=C(C=C3O)OC)/C=C/C4=CC=C(C=C4)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dracaena Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all