5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-pyrano[2,3-f]chromen-8-one
PubChem CID: 11100998
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| Compound Synonyms | GUT-70, 5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propylpyrano[2,3-f]chromen-8-one, 161633-75-6, 5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-pyrano[2,3-f]chromen-8-one, (E)-5-Methoxy-2,2-dimethyl-6-(2-methylbut-2-enoyl)-10-propyl-2H,8H-pyrano[2,3-f]chromen-8-one, CHEMBL478978, GLXC-03192 |
|---|---|
| Topological Polar Surface Area | 61.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 729.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propylpyrano[2,3-f]chromen-8-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C23H26O5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RMUWCAYGHBNRQJ-MDWZMJQESA-N |
| Fcsp3 | 0.391304347826087 |
| Logs | -5.721 |
| Rotatable Bond Count | 5.0 |
| Logd | 4.63 |
| Compound Name | 5-methoxy-2,2-dimethyl-6-[(E)-2-methylbut-2-enoyl]-10-propyl-pyrano[2,3-f]chromen-8-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 382.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 382.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 382.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -4.589912914285716 |
| Inchi | InChI=1S/C23H26O5/c1-7-9-14-12-16(24)27-22-17(14)21-15(10-11-23(4,5)28-21)20(26-6)18(22)19(25)13(3)8-2/h8,10-12H,7,9H2,1-6H3/b13-8+ |
| Smiles | CCCC1=CC(=O)OC2=C1C3=C(C=CC(O3)(C)C)C(=C2C(=O)/C(=C/C)/C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Calophyllum Brasiliense (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all