Molecule

Lapatin B

AlkaPlorer ID: AK056544

Synonym: None

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

Structure

SMILES: O=C1C2=CC=CC=C2N=C2[C@H]3N=C(O)[C@H](CC34C(O)=NC3=CC=CC=C34)N21

InChI: InChI=1S/C20H14N4O3/c25-17-14-9-20(11-6-2-4-8-13(11)22-19(20)27)15(23-17)16-21-12-7-3-1-5-10(12)18(26)24(14)16/h1-8,14-15H,9H2,(H,22,27)(H,23,25)/t14-,15+,20?/m0/s1

InChIKey: RSCQCCZWYNEMPN-VKWYCSODSA-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: 139584184

LOTUS: LTS0101429

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NPAtlas: NPA003916

Source

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

Properties Information

Molecule Weight: 358.357

TPSA？: 100.07

MolLogP？: 2.892100000000001

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi