Molecule

Diaporisoindole E

AlkaPlorer ID: AK116427

Synonym: None

IUPAC Name: (3S)-7-hydroxy-3-[(3S)-3-(2-hydroxypropan-2-yl)-7-methyl-2,3-dihydro-1,4-benzodioxin-5-yl]-3-methoxy-4-(3-methylbut-2-enyl)-2H-isoindol-1-one

Structure

SMILES: CO[C@@]1(C2=CC(C)=CC3=C2O[C@H](C(C)(C)O)CO3)N=C(O)C2=C(O)C=CC(CC=C(C)C)=C21

InChI: InChI=1S/C26H31NO6/c1-14(2)7-8-16-9-10-18(28)21-22(16)26(31-6,27-24(21)29)17-11-15(3)12-19-23(17)33-20(13-32-19)25(4,5)30/h7,9-12,20,28,30H,8,13H2,1-6H3,(H,27,29)/t20-,26+/m0/s1

InChIKey: MZRRIONMLYSODP-RXFWQSSRSA-N

Reference

Diaporindenes A–D: Four Unusual 2,3-Dihydro-1<i>H</i>-indene Analogues with Anti-inflammatory Activities from the Mangrove Endophytic Fungus <i>Diaporthe</i> sp. SYSU-HQ3

PubChem CID: 139591465

LOTUS: LTS0155132

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NPAtlas: NPA024317

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Diaporthe sp.	Diaporthe	Diaporthaceae	Diaporthales	Sordariomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 453.5350000000002

TPSA？: 100.74

MolLogP？: 4.285720000000003

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi