Saliniketal A

AlkaPlorer ID: AK003449

Synonym: None

IUPAC Name: (2Z,4E,6S,7S,8R,9R,10R)-10-[(1S,3S,4R,5S)-1,4-dimethyl-2,8-dioxabicyclo[3.2.1]octan-3-yl]-7,9-dihydroxy-2,6,8-trimethylundeca-2,4-dienamide

Structure

SMILES: C/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@H](O2)[C@H]1C)C(=N)O

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InChI: InChI=1S/C22H37NO5/c1-12(8-7-9-13(2)21(23)26)18(24)15(4)19(25)16(5)20-14(3)17-10-11-22(6,27-17)28-20/h7-9,12,14-20,24-25H,10-11H2,1-6H3,(H2,23,26)/b8-7+,13-9-/t12-,14+,15+,16+,17-,18-,19+,20+,22-/m0/s1

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InChIKey: GRVRRAOIXXYICO-XVBWCICRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Arenicola Arenicolidae None Polychaeta Annelida Metazoa Eukaryota

Properties Information

Molecule Weight: 395.5400000000002

TPSA: 103.0

MolLogP: 3.5843700000000016

Number of H-Donors: 4

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT001315 C/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@H](O2)[C@H]1C)C(=O)NC1=CC(=O)c2cc(O)c(C)c(O)c2C1=O>>C/C(=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@@H]1O[C@@]2(C)CC[C@H](O2)[C@H]1C)C(N)=O RXN-20300