2-[3,4-Dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxychromen-4-one
PubChem CID: 13911681
Connections displayed (default: 10).
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| Topological Polar Surface Area | 127.0 |
|---|---|
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 636.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[3,4-dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxychromen-4-one |
| Nih Violation | True |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Is Pains | True |
| Molecular Formula | C20H18O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UPHQJHPCLIJWKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.15 |
| Rotatable Bond Count | 3.0 |
| Compound Name | 2-[3,4-Dihydroxy-2-(3-methylbut-2-enyl)phenyl]-3,5,7-trihydroxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 370.105 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 370.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 370.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.588031918518518 |
| Inchi | InChI=1S/C20H18O7/c1-9(2)3-4-11-12(5-6-13(22)17(11)24)20-19(26)18(25)16-14(23)7-10(21)8-15(16)27-20/h3,5-8,21-24,26H,4H2,1-2H3 |
| Smiles | CC(=CCC1=C(C=CC(=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Mitracarpus Scaber (Plant) Rel Props:Source_db:cmaup_ingredients