Molecule

Asperfumigatin

AlkaPlorer ID: AK091655

Synonym: None

IUPAC Name: (1R,2S,12R,15S)-1,2-dihydroxy-12-(2-hydroxypropan-2-yl)-7-methoxy-10-(3-methylbut-2-enoyl)-10,13,19-triazapentacyclo[11.7.0.03,11.04,9.015,19]icosa-3(11),4(9),5,7-tetraene-14,20-dione

Structure

SMILES: COC1=CC=C2C3=C([C@H](C(C)(C)O)N4C(=O)[C@@H]5CCCN5C(=O)[C@]4(O)[C@H]3O)N(C(=O)C=C(C)C)C2=C1

InChI: InChI=1S/C26H31N3O7/c1-13(2)11-18(30)28-17-12-14(36-5)8-9-15(17)19-20(28)21(25(3,4)34)29-23(32)16-7-6-10-27(16)24(33)26(29,35)22(19)31/h8-9,11-12,16,21-22,31,34-35H,6-7,10H2,1-5H3/t16-,21+,22-,26+/m0/s1

InChIKey: RSHXVOKGTKPYNS-VWXOGXHKSA-N

Reference

Secondary Metabolites from <i>Aspergillus fumigatus</i>, an Endophytic Fungus from the Liverwort <i>Heteroscyphus tener</i> (<scp>Steph</scp>.) <scp>Schiffn</scp>.

PubChem CID: 139587400

LOTUS: LTS0102088

{

NPAtlas: NPA015450

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Heteroscyphus	Lophocoleaceae	Jungermanniales	Jungermanniopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 497.5480000000003

TPSA？: 132.54000000000002

MolLogP？: 1.6370999999999991

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi