(7R)-5-hydroxy-2,2-dimethyl-7-(2,4,5-trimethoxyphenyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
PubChem CID: 12971611
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL4081628 |
|---|---|
| Topological Polar Surface Area | 83.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 662.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (7R)-5-hydroxy-2,2-dimethyl-7-(2,4,5-trimethoxyphenyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C23H24O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | IFQCOXCDQXGBFK-AWEZNQCLSA-N |
| Fcsp3 | 0.3478260869565217 |
| Logs | -4.625 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.563 |
| Compound Name | (7R)-5-hydroxy-2,2-dimethyl-7-(2,4,5-trimethoxyphenyl)-7,8-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 412.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 412.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 412.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.012115600000001 |
| Inchi | InChI=1S/C23H24O7/c1-23(2)7-6-12-16(30-23)10-19-20(21(12)24)22(25)14(11-29-19)13-8-17(27-4)18(28-5)9-15(13)26-3/h6-10,14,24H,11H2,1-5H3/t14-/m0/s1 |
| Smiles | CC1(C=CC2=C(C3=C(C=C2O1)OC[C@H](C3=O)C4=CC(=C(C=C4OC)OC)OC)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Erythrina Sacleuxii (Plant) Rel Props:Source_db:cmaup_ingredients