7-O-Methylisolupalbigenin
PubChem CID: 10960780
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 7-O-Methylisolupalbigenin, 5-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one, 5-hydroxy-3-(4-hydroxy-3-(3-methylbut-2-enyl)phenyl)-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one, CHEMBL463146, SCHEMBL9992655, CHEBI:187064, LMPK12050200, 405297-97-4 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 728.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]-7-methoxy-8-(3-methylbut-2-enyl)chromen-4-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Is Pains | False |
| Molecular Formula | C26H28O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XOEJOZMFBLQRCB-UHFFFAOYSA-N |
| Fcsp3 | 0.2692307692307692 |
| Rotatable Bond Count | 6.0 |
| Compound Name | 7-O-Methylisolupalbigenin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.194 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 420.194 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 420.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.250866483870968 |
| Inchi | InChI=1S/C26H28O5/c1-15(2)6-8-18-12-17(9-11-21(18)27)20-14-31-26-19(10-7-16(3)4)23(30-5)13-22(28)24(26)25(20)29/h6-7,9,11-14,27-28H,8,10H2,1-5H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C(=CC(=C3CC=C(C)C)OC)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ulex Airensis (Plant) Rel Props:Source_db:cmaup_ingredients