13-dehydroxycyclotryprostatin A

AlkaPlorer ID: AK015739

Synonym: None

IUPAC Name: None

Structure

SMILES: [H][C@@](/C=C(C)\C)(N1C([C@@]2(CCCN2C([C@]1(C3)O)=O)[H])=O)C(NC4=C5)=C3C4=CC=C5OC

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InChI: InChI=1S/C22H25N3O4/c1-12(2)9-18-19-15(14-7-6-13(29-3)10-16(14)23-19)11-22(28)21(27)24-8-4-5-17(24)20(26)25(18)22/h6-7,9-10,17-18,23,28H,4-5,8,11H2,1-3H3/t17-,18-,22-/m0/s1

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InChIKey: GAQLGONAVPUXSP-SPEDKVCISA-N

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Source

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

Properties Information

Molecule Weight: 395.4590000000001

TPSA: 85.87

MolLogP: 2.2617000000000003

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information