Millettocalyxin C
PubChem CID: 11045499
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| Compound Synonyms | Millettocalyxin C, 2-(2,5-Dimethoxyphenyl)-4H-furo[2,3-h]-1-benzopyran-4-one, CHEMBL3581064, CHEBI:186937, LMPK12110009, 2-(2,5-dimethoxyphenyl)uro[2,3-h]chromen-4-one, 2-(2,5-dimethoxyphenyl)furo[2,3-h]chromen-4-one |
|---|---|
| Topological Polar Surface Area | 57.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 516.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(2,5-dimethoxyphenyl)furo[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C19H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DLYWGMBSOSDGOR-UHFFFAOYSA-N |
| Fcsp3 | 0.1052631578947368 |
| Logs | -6.503 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.03 |
| Compound Name | Millettocalyxin C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 322.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 322.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 322.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.952392533333334 |
| Inchi | InChI=1S/C19H14O5/c1-21-11-3-5-16(22-2)14(9-11)18-10-15(20)12-4-6-17-13(7-8-23-17)19(12)24-18/h3-10H,1-2H3 |
| Smiles | COC1=CC(=C(C=C1)OC)C2=CC(=O)C3=C(O2)C4=C(C=C3)OC=C4 |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Millettia Erythrocalyx (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Source_db:npass_chem_all