Delcosine

AlkaPlorer ID: AK016104

Synonym: '', 'Delcosine', 'SMR000470840', 'MLSMR', 'MLS000728670'

IUPAC Name: None

Structure

SMILES: CC[NH+]1C[C@]2(COC)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)[C@@H]14

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InChI: InChI=1S/C24H39NO7/c1-5-25-10-21(11-30-2)7-6-15(26)23-13-8-12-14(31-3)9-22(28,16(13)17(12)27)24(29,20(23)25)19(32-4)18(21)23/h12-20,26-29H,5-11H2,1-4H3/p+1/t12-,13-,14+,15+,16-,17+,18-,19+,20+,21+,22-,23+,24-/m1/s1

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InChIKey: BMZNJVXOLCBDPZ-FCXNFKKQSA-O

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Properties Information

Molecule Weight: 454.5840000000002

TPSA: 113.05000000000004

MolLogP: -1.8001999999999927

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information