(8S)-5-hydroxy-10-(methoxymethyl)-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one
PubChem CID: 155551264
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| Compound Synonyms | CHEMBL4541299 |
|---|---|
| Topological Polar Surface Area | 65.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 579.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8S)-5-hydroxy-10-(methoxymethyl)-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C22H22O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ASNVKYABEIOMHP-KRWDZBQOSA-N |
| Fcsp3 | 0.3181818181818182 |
| Logs | -4.223 |
| Rotatable Bond Count | 3.0 |
| Logd | 1.795 |
| Compound Name | (8S)-5-hydroxy-10-(methoxymethyl)-2,2-dimethyl-8-phenyl-7,8-dihydropyrano[3,2-g]chromen-6-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 366.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 366.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.5547494888888895 |
| Inchi | InChI=1S/C22H22O5/c1-22(2)10-9-14-19(24)18-16(23)11-17(13-7-5-4-6-8-13)26-21(18)15(12-25-3)20(14)27-22/h4-10,17,24H,11-12H2,1-3H3/t17-/m0/s1 |
| Smiles | CC1(C=CC2=C(C3=C(C(=C2O1)COC)O[C@@H](CC3=O)C4=CC=CC=C4)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mallotus Philippensis (Plant) Rel Props:Source_db:cmaup_ingredients