Neofolin
PubChem CID: 44260104
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| Compound Synonyms | Neofolin, 9-methoxy-6-(6-methoxy-1,3-benzodioxol-5-yl)furo(3,2-g)chromen-7-one, 9-methoxy-6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-7-one, CHEBI:185792, LMPK12160016, 9-methoxy-6-(6-methoxy-1,3-benzodioxol-5-yl)uro[3,2-g]chromen-7-one, 9-methoxy-6-(6-methoxy-1,3benzodioxol-5-yl)furo[3,2-g]chromen-7-one, 10338-02-0 |
|---|---|
| Topological Polar Surface Area | 76.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 619.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-methoxy-6-(6-methoxy-1,3-benzodioxol-5-yl)furo[3,2-g]chromen-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C20H14O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SUNDAONUHLDQBY-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -6.15 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.352 |
| Compound Name | Neofolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 366.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.074 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 366.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.040455740740741 |
| Inchi | InChI=1S/C20H14O7/c1-22-14-8-16-15(25-9-26-16)7-12(14)13-6-11-5-10-3-4-24-17(10)19(23-2)18(11)27-20(13)21/h3-8H,9H2,1-2H3 |
| Smiles | COC1=CC2=C(C=C1C3=CC4=C(C(=C5C(=C4)C=CO5)OC)OC3=O)OCO2 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Psychotria Rostrata (Plant) Rel Props:Source_db:cmaup_ingredients