Tanariflavanone B
PubChem CID: 11113726
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| Compound Synonyms | tanariflavanone B, CHEBI:66189, 5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano[2'',3'':3',2']flavanone, (2S)-5,7,8'-trihydroxy-2'-methyl-6-(3-methylbut-2-en-1-yl)-2'-(4-methylpent-3-en-1-yl)-2,3-dihydro-2'H,4H-2,5'-bichromen-4-one, (2S)-5,7-dihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, (2S)-5,7-dihydroxy-2-(8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one, 5,7,4'-Trihydroxy-6-prenyl-6''-methyl,6''-(4-methylpent-3-enyl)-pyrano(2'',3'':3',2')flavanone, CHEMBL486181, LMPK12140428, Q27134723, 352276-81-4 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | URMUEILYNQBSDZ-SUHMBNCMSA-N |
| Fcsp3 | 0.3666666666666666 |
| Rotatable Bond Count | 6.0 |
| Heavy Atom Count | 36.0 |
| Compound Name | Tanariflavanone B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 490.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 490.236 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 884.0 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 490.6 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-5,7-dihydroxy-2-[8-hydroxy-2-methyl-2-(4-methylpent-3-enyl)chromen-5-yl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -7.262061866666669 |
| Inchi | InChI=1S/C30H34O6/c1-17(2)7-6-13-30(5)14-12-20-19(10-11-22(31)29(20)36-30)25-16-24(33)27-26(35-25)15-23(32)21(28(27)34)9-8-18(3)4/h7-8,10-12,14-15,25,31-32,34H,6,9,13,16H2,1-5H3/t25-,30?/m0/s1 |
| Smiles | CC(=CCCC1(C=CC2=C(C=CC(=C2O1)O)[C@@H]3CC(=O)C4=C(O3)C=C(C(=C4O)CC=C(C)C)O)C)C |
| Xlogp | 7.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C30H34O6 |
- 1. Outgoing r'ship
FOUND_INto/from Macaranga Tanarius (Plant) Rel Props:Source_db:cmaup_ingredients