Spongiacidin A

AlkaPlorer ID: AK150985

Synonym: None

IUPAC Name: 4-(2-amino-5-oxoimidazolidin-4-ylidene)-2,3-dibromo-1,5,6,7-tetrahydropyrrolo[2,3-c]azepin-8-one

Structure

SMILES: NC1NC(=O)C(=C2CCNC(=O)C3=C2C(Br)=C(Br)N3)N1

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InChI: InChI=1S/C11H11Br2N5O2/c12-5-4-3(6-10(20)18-11(14)17-6)1-2-15-9(19)7(4)16-8(5)13/h11,16-17H,1-2,14H2,(H,15,19)(H,18,20)

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InChIKey: CTHGIINQRBTFRV-UHFFFAOYSA-N

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Reference

PubChem CID: 75048936

COCONUT: CNP0078143

Properties Information

Molecule Weight: 405.05

TPSA: 112.04

MolLogP: 0.346

Number of H-Donors: 5

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information