Licoflavone C
PubChem CID: 10246505
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| Compound Synonyms | Licoflavone C, 72357-31-4, 8-Prenylapigenin, 4',5,7-Trihydroxy-8-prenylflavone, UNII-0DQ85982ZY, 0DQ85982ZY, CHEMBL371562, DTXSID90904164, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one, 5,7,4'-Trihydroxy-8-prenylflavone, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one, 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methyl-2-buten-1-yl)-, LicoflavoneC, MEGxp0_002023, SCHEMBL1231403, ACon1_001079, DTXCID401332048, HY-N4183, BDBM50240972, LMPK12110422, AKOS027326549, NCGC00169697-01, DA-75005, FL171655, MS-25141, CS-0032375, E80589, BRD-K74687851-001-01-8, Q27236649, 5,7-Dihydroxy-2-(4-hydroxy-phenyl)-8-(3-methyl-but-2-enyl)-chromen-4-one |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 554.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O76074, n.a., P18031, Q16236, Q08499, Q92731, P03372 |
| Iupac Name | 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Target Id | NPT273, NPT1464, NPT248, NPT108 |
| Xlogp | 3.7 |
| Molecular Formula | C20H18O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MEHHCBRCXIDGKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Logs | -3.23 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.197 |
| Compound Name | Licoflavone C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 338.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.115 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6074258 |
| Inchi | InChI=1S/C20H18O5/c1-11(2)3-8-14-15(22)9-16(23)19-17(24)10-18(25-20(14)19)12-4-6-13(21)7-5-12/h3-7,9-10,21-23H,8H2,1-2H3 |
| Smiles | CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C=C(O2)C3=CC=C(C=C3)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all