Nigrasin H
Representations & DB's id
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| ChEBI: | CHEBI:68019 | |
|---|---|---|
| ChEMBL: | CHEMBL1773618 | |
| PubChem: | 54583211 | |
| IUPAC: | (8R)-2-(2,4-dihydroxyphenyl)-5-hydroxy-8,9,9-trimethyl-3-(3-methylbut-2-enyl)-8H-furo[2,3-h]chromen-4-one | |
| Standard InChI: | InChI=1S/C25H26O6/c1-12(2)6-8-16-22(29)20-18(28)11-19-21(25(4,5)13(3)30-19)24(20)31-23(16)15-9-7-14(26)10-17(15)27/h6-7,9-11,13,26-28H,8H2,1-5H3/t13-/m1/s1 | |
| Standard InChI Key: | FJZJTEHPYMIMST-CYBMUJFWSA-N | |
| SMILES: | CC(=CCc1c(oc2c(c1=O)c(O)cc1c2C(C)(C)[C@H](O1)C)c1ccc(cc1O)O)C | |
Molecular propeties
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| AlogP: | 5.14 | |
|---|---|---|
| Hydrogen bonds acceptors: | 6 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 4 | |
| Molecular Weight: | 422.17 | |
| Topological polar surface area: | 96.2 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.32 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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