Tlatlancuayin
PubChem CID: 12444409
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| Compound Synonyms | Tlatlancuayin, 3743-44-0, 5,2-Dimethoxy-6,7-methylenedioxyisoflavone, 9-methoxy-7-(2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one, 2',5-dimethoxy-6,7-methylenedioxyisoflavone, 9-methoxy-7-(2-methoxyphenyl)-(1,3)dioxolo(4,5-g)chromen-8-one, CHEBI:196329, LMPK12050362, FS-10576 |
|---|---|
| Topological Polar Surface Area | 63.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 518.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-7-(2-methoxyphenyl)-[1,3]dioxolo[4,5-g]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WJYNIPMSQPXGGO-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -4.251 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.963 |
| Compound Name | Tlatlancuayin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 326.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 326.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 326.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5129181333333337 |
| Inchi | InChI=1S/C18H14O6/c1-20-12-6-4-3-5-10(12)11-8-22-13-7-14-17(24-9-23-14)18(21-2)15(13)16(11)19/h3-8H,9H2,1-2H3 |
| Smiles | COC1=CC=CC=C1C2=COC3=CC4=C(C(=C3C2=O)OC)OCO4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Bungei (Plant) Rel Props:Source_db:cmaup_ingredients