Cochinchinenene A
PubChem CID: 23655742
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| Compound Synonyms | COCHINCHINENENE A, CHEMBL254229, 4-(3-(4-((E)-2-(4-hydroxyphenyl)ethenyl)-2,6-dimethoxyphenyl)-3-(4-methoxyphenyl)propyl)-3-methoxyphenol, 4-[3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,6-dimethoxyphenyl]-3-(4-methoxyphenyl)propyl]-3-methoxyphenol, BDBM50222764, 1-[4-(3,5-dimethoxy-4-hydroxystilbenyl)]-1-(4-methoxyphenyl)-3-(2-methoxy-4-hydroxyphenyl)propane, 956103-71-2 |
|---|---|
| Topological Polar Surface Area | 77.4 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 699.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P00734, P27487 |
| Iupac Name | 4-[3-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,6-dimethoxyphenyl]-3-(4-methoxyphenyl)propyl]-3-methoxyphenol |
| Prediction Hob | 0.0 |
| Xlogp | 7.6 |
| Molecular Formula | C33H34O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IEXCFHSPKFFVGU-AATRIKPKSA-N |
| Fcsp3 | 0.2121212121212121 |
| Logs | -4.842 |
| Rotatable Bond Count | 11.0 |
| Logd | 4.571 |
| Compound Name | Cochinchinenene A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 526.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 526.236 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 526.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -7.6098844153846175 |
| Inchi | InChI=1S/C33H34O6/c1-36-28-16-10-24(11-17-28)29(18-12-25-9-15-27(35)21-30(25)37-2)33-31(38-3)19-23(20-32(33)39-4)6-5-22-7-13-26(34)14-8-22/h5-11,13-17,19-21,29,34-35H,12,18H2,1-4H3/b6-5+ |
| Smiles | COC1=CC=C(C=C1)C(CCC2=C(C=C(C=C2)O)OC)C3=C(C=C(C=C3OC)/C=C/C4=CC=C(C=C4)O)OC |
| 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