(+)-Volkensiflavone
PubChem CID: 23844069
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| Compound Synonyms | (+)-Volkensiflavone, Volkensiflavone, CHEBI:70330, (+/-)-Volkensiflavone, 27542-37-6, [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2,3-dihydro-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-, (2R,3S)-, 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, (2R,3S)-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-[3,8'-bi-1-benzopyran]-4,4'-dione, (2R,3S)-5,5',7,7'-tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-(3,8'-bi-1-benzopyran)-4,4'-dione, 8-((2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one, CHEMBL463023, MEGxp0_001230, SCHEMBL13829450, ACon1_001855, AKOS030534765, NCGC00180071-01, HY-124537, CS-0086856, BRD-K34101949-001-01-3, Q27138671, 8-((2R,3S)-5,7-Dihydroxy-2-(4-hydroxyphenyl)-4-oxochroman-3-yl)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 174.0 |
| Hydrogen Bond Donor Count | 6.0 |
| Heavy Atom Count | 40.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 983.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Uniprot Id | Q72547, n.a. |
| Iupac Name | 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C30H20O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YOGANETYFUQWIM-PXJZQJOASA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.698 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.844 |
| Compound Name | (+)-Volkensiflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 540.106 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 540.106 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 540.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.056176000000001 |
| Inchi | InChI=1S/C30H20O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-12,27,29,31-36H/t27-,29+/m1/s1 |
| Smiles | C1=CC(=CC=C1[C@H]2[C@@H](C(=O)C3=C(C=C(C=C3O2)O)O)C4=C(C=C(C5=C4OC(=CC5=O)C6=CC=C(C=C6)O)O)O)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Dulcis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Garcinia Livingstonei (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Garcinia Multiflora (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Garcinia Xanthochymus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all