AS2077715

AlkaPlorer ID: AK093234

Synonym: 'AS2077715'

IUPAC Name: 3-[(2R,6S)-6-[(3S,5R)-3,5-dimethylheptyl]oxan-2-yl]-4-hydroxy-1-methyl-5-[(2R,3R,4S,5S)-2,3,4,5-tetrahydroxycyclopentyl]pyridin-2-one

Structure

SMILES: CC[C@@H](C)C[C@@H](C)CC[C@@H]1CCC[C@H](C2=C(O)C(C3[C@@H](O)[C@@H](O)[C@@H](O)[C@H]3O)=CN(C)C2=O)O1

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InChI: InChI=1S/C25H41NO7/c1-5-13(2)11-14(3)9-10-15-7-6-8-17(33-15)19-20(27)16(12-26(4)25(19)32)18-21(28)23(30)24(31)22(18)29/h12-15,17-18,21-24,27-31H,5-11H2,1-4H3/t13-,14+,15+,17-,18?,21-,22+,23-,24+/m1/s1

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InChIKey: PCXGABLZLXTHMH-BNURKJKRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None None Capnodiaceae Capnodiales Dothideomycetes Ascomycota Fungi Eukaryota

Properties Information

Molecule Weight: 467.6030000000001

TPSA: 132.38

MolLogP: 2.0944

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information