Molecule

Lapatin A

AlkaPlorer ID: AK024611

Synonym: 'Lapatin A'

IUPAC Name: (1S,2'S,3'aS,12S,16R)-2'-methylspiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-3,3a-dihydro-2H-imidazo[1,2-a]indole]-1',3,14-trione

Structure

SMILES: C[C@@H]1N[C@H]2N(C1=O)C1=CC=CC=C1[C@@]21C[C@H]2C(=O)N[C@@H]1C1=NC3=CC=CC=C3C(=O)N12

InChI: InChI=1S/C23H19N5O3/c1-11-20(30)28-15-9-5-3-7-13(15)23(22(28)24-11)10-16-19(29)26-17(23)18-25-14-8-4-2-6-12(14)21(31)27(16)18/h2-9,11,16-17,22,24H,10H2,1H3,(H,26,29)/t11-,16-,17+,22-,23+/m0/s1

InChIKey: WBCINSMUFGLFNX-PBSSQXKISA-N

Reference

Discovery of New Natural Products by Application of <i>X-hitting</i>, a Novel Algorithm for Automated Comparison of Full UV Spectra, Combined with Structural Determination by NMR Spectroscopy

PubChem CID: 15939556

LOTUS: LTS0116660

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Penicillium lapatayae	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 413.4370000000001

TPSA？: 96.33

MolLogP？: 1.1145999999999994

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 8

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi