Artoindonesianin S
PubChem CID: 5320444
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| Compound Synonyms | Artoindonesianin S, 1,4,8-trihydroxy-3,10-dimethoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one, 1,4,8-trihydroxy-3,10-dimethoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo(c)xanthen-7-one, LMPK12111535, 502718-04-9 |
|---|---|
| Topological Polar Surface Area | 105.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 716.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,4,8-trihydroxy-3,10-dimethoxy-5-prop-1-en-2-yl-5,6-dihydrobenzo[c]xanthen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C22H20O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QTSYIEYGKIGDKF-UHFFFAOYSA-N |
| Fcsp3 | 0.2272727272727272 |
| Logs | -4.485 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.978 |
| Compound Name | Artoindonesianin S |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.121 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 396.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.958624862068966 |
| Inchi | InChI=1S/C22H20O7/c1-9(2)11-7-12-20(25)18-13(23)5-10(27-3)6-15(18)29-22(12)19-14(24)8-16(28-4)21(26)17(11)19/h5-6,8,11,23-24,26H,1,7H2,2-4H3 |
| Smiles | CC(=C)C1CC2=C(C3=C1C(=C(C=C3O)OC)O)OC4=CC(=CC(=C4C2=O)O)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artocarpus Integer (Plant) Rel Props:Source_db:cmaup_ingredients