Dmdbp
PubChem CID: 5316801
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | DMDBP, 151135-83-0, CHEMBL2204386, (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one, 1-(3-(3-Methyl-2-butenyl)-2,4-(dihydroxy)phenyl)-3-(2,2-dimethyl-8-hydroxy-2H-benzopyran-6-yl)-2-propen-1-one, 3,2',4'-Trihydroxy-6'',6''-dimethyl-3'-prenylpyrano[2'',3'':4,5]chalcone, 2-Propen-1-one, 1-(2,4-dihydroxy-3-(3-Methyl-2-butenyl)phenyl)-3-(8-hydroxy-2,2-dimethyl-2H-benzopyran-6-yl)-, (2E)-, SCHEMBL24075561, BDBM50496209, LMPK12120084, (e)-1-[2,4-dihydroxy-3-(3-methyl-2-but enyl)phenyl]-3-(2,2-dimethyl-8-hydrox y-2h-benzopyran-6-yl)-2-propen-1-one, (E)-1-[2,4-Dihydroxy-3-(3-methyl-but-2-enyl)-phenyl]-3-(8-hydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-propenone, (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(8-hydroxy-2,2-dimethyl-chromen-6-yl)prop-2-en-1-one, 1-(3-(3-methyl-2-butenyl)-2,4-(dihydroxy)phenyl)-3-(2,2-dimethyl-8-hydroxy-2H-benzopyran-6-yl)-2-pro |
|---|---|
| Topological Polar Surface Area | 87.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 702.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | B4URF0, P18031, P14679, Q16236 |
| Iupac Name | (E)-1-[2,4-dihydroxy-3-(3-methylbut-2-enyl)phenyl]-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C25H26O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DYPJOHFWCNIBKZ-RMKNXTFCSA-N |
| Fcsp3 | 0.24 |
| Logs | -3.058 |
| Rotatable Bond Count | 5.0 |
| Logd | 3.968 |
| Compound Name | Dmdbp |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 406.178 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 406.178 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 406.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -6.125063600000002 |
| Inchi | InChI=1S/C25H26O5/c1-15(2)5-7-18-21(27)10-8-19(23(18)29)20(26)9-6-16-13-17-11-12-25(3,4)30-24(17)22(28)14-16/h5-6,8-14,27-29H,7H2,1-4H3/b9-6+ |
| Smiles | CC(=CCC1=C(C=CC(=C1O)C(=O)/C=C/C2=CC3=C(C(=C2)O)OC(C=C3)(C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 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 - 4. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all