2'-Hydroxyartocarmin A
PubChem CID: 71449771
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| Compound Synonyms | 2'-Hydroxyartocarmin A, CHEMBL2164982 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 613.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(E)-4-hydroxy-3-methylbut-2-enyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C20H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GGNFRQNGJUKIKW-WTDSWWLTSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.134 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.025 |
| Compound Name | 2'-Hydroxyartocarmin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 370.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.6967319185185192 |
| Inchi | InChI=1S/C20H18O7/c1-10(9-21)2-4-13-15(24)7-18-19(20(13)26)16(25)8-17(27-18)12-5-3-11(22)6-14(12)23/h2-3,5-8,21-24,26H,4,9H2,1H3/b10-2+ |
| Smiles | C/C(=C\CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=C(C=C(C=C3)O)O)O)/CO |
| Nring | 7.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients