3-Methoxy-2-(3,4,5-trimethoxyphenyl)furo[2,3-h]chromen-4-one
PubChem CID: 5320357
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| Topological Polar Surface Area | 76.4 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 604.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-2-(3,4,5-trimethoxyphenyl)furo[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C21H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | OACYQSXLLVSYPQ-UHFFFAOYSA-N |
| Fcsp3 | 0.1904761904761904 |
| Logs | -5.213 |
| Rotatable Bond Count | 5.0 |
| Logd | 2.999 |
| Compound Name | 3-Methoxy-2-(3,4,5-trimethoxyphenyl)furo[2,3-h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 382.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3358244571428575 |
| Inchi | InChI=1S/C21H18O7/c1-23-15-9-11(10-16(24-2)20(15)25-3)18-21(26-4)17(22)13-5-6-14-12(7-8-27-14)19(13)28-18/h5-10H,1-4H3 |
| Smiles | COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C4=C(C=C3)OC=C4)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Millettia Pachycarpa (Plant) Rel Props:Source_db:cmaup_ingredients