Dorsmanin B
PubChem CID: 10524567
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| Compound Synonyms | Dorsmanin B, Bis(6'',6''-dimethyldihydropyrano[2'',3'':7,6][2'',3'':4',3'])flavanone, 8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano(3,2-g)chromen-6-one, 8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one, LMPK12140060, 8-(2,2-dimethylchroman-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one, 211307-30-1 |
|---|---|
| Topological Polar Surface Area | 44.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 641.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(2,2-dimethyl-3,4-dihydrochromen-6-yl)-2,2-dimethyl-3,4,7,8-tetrahydropyrano[3,2-g]chromen-6-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.9 |
| Molecular Formula | C25H28O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NGPBIRAXWXZMOD-UHFFFAOYSA-N |
| Fcsp3 | 0.48 |
| Logs | -5.122 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.385 |
| Compound Name | Dorsmanin B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 392.199 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 392.199 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 392.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.575475896551726 |
| Inchi | InChI=1S/C25H28O4/c1-24(2)9-7-16-11-15(5-6-20(16)28-24)21-13-19(26)18-12-17-8-10-25(3,4)29-22(17)14-23(18)27-21/h5-6,11-12,14,21H,7-10,13H2,1-4H3 |
| Smiles | CC1(CCC2=CC3=C(C=C2O1)OC(CC3=O)C4=CC5=C(C=C4)OC(CC5)(C)C)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Dorstenia Mannii (Plant) Rel Props:Source_db:cmaup_ingredients