Molecule

Neoechinulin C

AlkaPlorer ID: AK052398

Synonym: 'Cryptoechinulin A', 'Neoechinulin C', 'Cryptoechinuline A', 'Neoechinuline C'

IUPAC Name: 3-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-6-methylidenepiperazine-2,5-dione

Structure

SMILES: C=CC(C)(C)C1=C(C=C2N=C(O)C(=C)NC2=O)C2=CC=C(CC=C(C)C)C=C2N1

InChI: InChI=1S/C24H27N3O2/c1-7-24(5,6)21-18(13-20-23(29)25-15(4)22(28)27-20)17-11-10-16(9-8-14(2)3)12-19(17)26-21/h7-8,10-13,26H,1,4,9H2,2-3,5-6H3,(H,25,29)(H,27,28)

InChIKey: WXWNIBJUIDHOOC-UHFFFAOYSA-N

Reference

Molecular structure of cryptoechinuline a, a new metabolite of aspergillus amstelodami, isolated during investigations on echinuline biosynthesis

PubChem CID: 74051563

CAS: 55179-54-9

LOTUS: LTS0247856

COCONUT: CNP0280210

Source

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

Properties Information

Molecule Weight: 389.49900000000014

TPSA？: 81.77000000000001

MolLogP？: 3.168200000000001

Number of H-Donors: 3

Number of H-Acceptors: 3

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi