Diaporisoindole B
AlkaPlorer ID: AK109774
Synonym: None
IUPAC Name: (3R)-7-hydroxy-3-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-4-(3-methylbut-2-enyl)-2,3-dihydroisoindol-1-one
Structure
SMILES: CC(C)=CCC1=CC=C(O)C2=C1[C@H](C1=CC(C)=CC3=C1O[C@H](C(C)(C)O)CO3)N=C2O
InChI: InChI=1S/C25H29NO5/c1-13(2)6-7-15-8-9-17(27)21-20(15)22(26-24(21)28)16-10-14(3)11-18-23(16)31-19(12-30-18)25(4,5)29/h6,8-11,19,22,27,29H,7,12H2,1-5H3,(H,26,28)/t19-,22-/m0/s1
InChIKey: FMZQVUPZAJIUSS-UGKGYDQZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Diaporthe sp. | Diaporthe | Diaporthaceae | Diaporthales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 423.5090000000002
TPSA？: 91.51
MolLogP？: 4.527620000000003
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | Activity | None | None | 10.1021/acs.jnatprod.2c00715 |
| Homo sapiens | THP-1 | Activity | None | None | 10.1021/acs.jnatprod.2c00715 |
| None | Unchecked | Activity | None | None | 10.1021/acs.jnatprod.2c00715 |
| None | Unchecked | Inhibition | None | % | 10.1021/acs.jnatprod.2c00715 |