Artocarmin A
PubChem CID: 71449769
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| Compound Synonyms | Artocarmin A, CHEMBL2164979 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 575.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5,7-dihydroxy-6-[(E)-4-hydroxy-3-methylbut-2-enyl]-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C20H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | STGFGEJCRVJFFB-BIIKFXOESA-N |
| Fcsp3 | 0.15 |
| Logs | -3.518 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.421 |
| Compound Name | Artocarmin A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 354.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 354.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 354.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.8349042153846162 |
| Inchi | InChI=1S/C20H18O6/c1-11(10-21)2-7-14-15(23)8-18-19(20(14)25)16(24)9-17(26-18)12-3-5-13(22)6-4-12/h2-6,8-9,21-23,25H,7,10H2,1H3/b11-2+ |
| Smiles | C/C(=C\CC1=C(C2=C(C=C1O)OC(=CC2=O)C3=CC=C(C=C3)O)O)/CO |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Heterophyllus (Plant) Rel Props:Source_db:cmaup_ingredients