4'-Trans-Feruloylartocarmin A
PubChem CID: 71456925
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| Compound Synonyms | 4'-Trans-Feruloylartocarmin A, CHEMBL2164981 |
|---|---|
| Topological Polar Surface Area | 143.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 948.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(E)-4-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-6-yl]-2-methylbut-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate |
| Prediction Hob | 0.0 |
| Xlogp | 5.6 |
| Molecular Formula | C30H26O9 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMTUODQQJGUHQG-PFFISDNPSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.301 |
| Rotatable Bond Count | 9.0 |
| Logd | 2.865 |
| Compound Name | 4'-Trans-Feruloylartocarmin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 530.158 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 530.158 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 530.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 2.0 |
| Esol | -5.995615697435899 |
| Inchi | InChI=1S/C30H26O9/c1-17(16-38-28(35)12-5-18-4-11-22(32)26(13-18)37-2)3-10-21-23(33)14-27-29(30(21)36)24(34)15-25(39-27)19-6-8-20(31)9-7-19/h3-9,11-15,31-33,36H,10,16H2,1-2H3/b12-5+,17-3+ |
| Smiles | C/C(=C\CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)/COC(=O)/C=C/C4=CC(=C(C=C4)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 2.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients