Fukugetin
PubChem CID: 12110448
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| Compound Synonyms | (+)-Morelloflavone, Morelloflavone, Fukugetin, DL-Fukugetin, (+/-)-Fukugetin, CHEBI:70331, Morelloflavone, (+/-)-, 4B2DSN2K2X, (2R,3S)-MORELLOFLAVONE, 16851-21-1, 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, (2R,3S)-2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-[3,8'-bi-1-benzopyran]-4,4'-dione, 21945-33-5, AX3GA2TK7M, (2R,3S)-2'-(3,4-dihydroxyphenyl)-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H,4'H-(3,8'-bi-1-benzopyran)-4,4'-dione, (3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2R,3S)-rel-, (3,8'-Bi-4H-1-benzopyran)-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, trans-(+/-)-, [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, (2R,3S)-rel-, [3,8'-Bi-4H-1-benzopyran]-4,4'-dione, 2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)-, trans-(+/-)-, 8-((2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one, Rel-(2R,3S)-2'-(3,4-dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)(3,8'-bi-4H-1-benzopyran)-4,4'-dione, rel-(2R,3S)-2'-(3,4-Dihydroxyphenyl)-2,3-dihydro-5,5',7,7'-tetrahydroxy-2-(4-hydroxyphenyl)[3,8'-bi-4H-1-benzopyran]-4,4'-dione, Morelloflavone, (+)-, UNII-4B2DSN2K2X, CHEMBL446328, HY-N10276, NSC784473, AKOS040762716, NSC-784473, NCGC00488494-01, CS-0374373, Q27138672, (2R,3S)-2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5,5,7,7-TETRAHYDROXY-2-(4-HYDROXYPHENYL)(3,8-BI-4H-1-BENZOPYRAN)-4,4-DIONE, (3,8-BI-4H-1-BENZOPYRAN)-4,4-DIONE, 2-(3,4-DIHYDROXYPHENYL)-2,3-DIHYDRO-5,5,7,7-TETRAHYDROXY-2-(4-HYDROXYPHENYL)-, (2R,3S)-, 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-chroman-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-chromen-4-one, FLAVANONE, 3-(2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-1-BENZOPYRAN-8-YL)-4,5,7-TRIHYDROXY- |
|---|---|
| Topological Polar Surface Area | 194.0 |
| Hydrogen Bond Donor Count | 7.0 |
| Heavy Atom Count | 41.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1020.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C30H20O11 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GFWPWSNIXRDQJC-PXJZQJOASA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.745 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.42 |
| Compound Name | Fukugetin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 556.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 556.101 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 556.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.922235653658538 |
| Inchi | InChI=1S/C30H20O11/c31-14-4-1-12(2-5-14)29-27(28(39)25-18(35)8-15(32)9-23(25)41-29)26-20(37)10-19(36)24-21(38)11-22(40-30(24)26)13-3-6-16(33)17(34)7-13/h1-11,27,29,31-37H/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)O |
| Nring | 6.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aglaomorpha Coronans (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Garcinia Intermedia (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Garcinia Livingstonei (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Garcinia Morella (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Picria Felterrae (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Pimpinella Magna (Plant) Rel Props:Source_db:cmaup_ingredients