Molecule

8-hydroxyechinulin

AlkaPlorer ID: AK009584

Synonym: None

IUPAC Name: None

Structure

SMILES: C=CC(C)(C1=C(C2=CC(C/C=C(C)\C)=CC(C/C=C(C)\C)=C2N1)[C@H](O)[C@@H]3NC([C@H](C)NC3=O)=O)C

InChI: InChI=1S/C29H39N3O3/c1-9-29(7,8)26-22(25(33)24-28(35)30-18(6)27(34)32-24)21-15-19(12-10-16(2)3)14-20(23(21)31-26)13-11-17(4)5/h9-11,14-15,18,24-25,31,33H,1,12-13H2,2-8H3,(H,30,35)(H,32,34)/t18-,24-,25-/m0/s1

InChIKey: XRTMHOCSEJUICU-WDNCENIBSA-N

Reference

Isolation and Identification of Indole Alkaloids from Aspergillus amstelodami BSX001 and Optimization of Ultrasound-Assisted Extraction of Neoechinulin A

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Aspergillus amstelodami	Aspergillus	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 477.6490000000001

TPSA？: 94.22

MolLogP？: 4.685400000000002

Number of H-Donors: 4

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi