(2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-6-(1-phenylethenyl)-2,3-dihydropyrano[2,3-h]chromen-4-one
PubChem CID: 5318576
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| Topological Polar Surface Area | 55.8 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 660.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-6-(1-phenylethenyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.2 |
| Molecular Formula | C24H24O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CLZBUZYFEDJSCK-DZGCQCFKSA-N |
| Fcsp3 | 0.2916666666666667 |
| Logs | -4.096 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.421 |
| Compound Name | (2R,3S)-5-hydroxy-2,3,8,8-tetramethyl-6-(1-phenylethenyl)-2,3-dihydropyrano[2,3-h]chromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 376.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 376.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 376.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.239945257142857 |
| Inchi | InChI=1S/C24H24O4/c1-13-15(3)27-22-17-11-12-24(4,5)28-23(17)18(21(26)19(22)20(13)25)14(2)16-9-7-6-8-10-16/h6-13,15,26H,2H2,1,3-5H3/t13-,15+/m0/s1 |
| Smiles | C[C@H]1[C@H](OC2=C3C=CC(OC3=C(C(=C2C1=O)O)C(=C)C4=CC=CC=C4)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Inophyllum (Plant) Rel Props:Source_db:cmaup_ingredients