Dorsmanin H
PubChem CID: 42607995
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| Compound Synonyms | Dorsmanin H, 5,7,3',4'-Tetrahydroxy-6-prenyl-8-(2-hydroxy-3-methylbut-3-enyl)flavanone, LMPK12140411 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 715.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(2-hydroxy-3-methylbut-3-enyl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.8 |
| Molecular Formula | C25H28O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AZJHCBAWHISFNV-ZYZRXSCRSA-N |
| Fcsp3 | 0.32 |
| Logs | -4.3 |
| Rotatable Bond Count | 6.0 |
| Logd | 2.409 |
| Compound Name | Dorsmanin H |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 440.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 440.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.501750400000001 |
| Inchi | InChI=1S/C25H28O7/c1-12(2)5-7-15-23(30)16(10-18(27)13(3)4)25-22(24(15)31)20(29)11-21(32-25)14-6-8-17(26)19(28)9-14/h5-6,8-9,18,21,26-28,30-31H,3,7,10-11H2,1-2,4H3/t18?,21-/m0/s1 |
| Smiles | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC(=C(C=C3)O)O)CC(C(=C)C)O)O)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