Artobilichromene
PubChem CID: 14259062
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| Compound Synonyms | Artobilichromene, 5-hydroxy-2,2-dimethyl-8-(2,4,5-trihydroxy-3-(3-methylbut-2-enyl)phenyl)pyrano(3,2-g)chromen-6-one, 5-hydroxy-2,2-dimethyl-8-[2,4,5-trihydroxy-3-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one, C25H24O7, LMPK12110922, 54963-50-7 |
|---|---|
| Topological Polar Surface Area | 116.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 824.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-2,2-dimethyl-8-[2,4,5-trihydroxy-3-(3-methylbut-2-enyl)phenyl]pyrano[3,2-g]chromen-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.2 |
| Molecular Formula | C25H24O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PLAGFMDVHDUWRB-UHFFFAOYSA-N |
| Fcsp3 | 0.24 |
| Logs | -2.918 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.777 |
| Compound Name | Artobilichromene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 436.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.152 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.471152000000001 |
| Inchi | InChI=1S/C25H24O7/c1-12(2)5-6-14-22(28)15(9-17(27)23(14)29)18-10-16(26)21-20(31-18)11-19-13(24(21)30)7-8-25(3,4)32-19/h5,7-11,27-30H,6H2,1-4H3 |
| Smiles | CC(=CCC1=C(C(=CC(=C1O)O)C2=CC(=O)C3=C(C4=C(C=C3O2)OC(C=C4)(C)C)O)O)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Paeonia Rockii (Plant) Rel Props:Source_db:cmaup_ingredients