Methyl-11,12-dimethoxychanofruticosinate

AlkaPlorer ID: AK078070

Synonym: ''

IUPAC Name: None

Structure

SMILES: COC(=O)N1C2=C(OC)C(OC)=CC=C2[C@@]23[C@@H]4C[NH+]5CCC[C@@](CC[C@]12C(=O)OC)(CC4=O)[C@H]53

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InChI: InChI=1S/C25H30N2O7/c1-31-17-7-6-14-18(19(17)32-2)27(22(30)34-4)24(21(29)33-3)10-9-23-8-5-11-26-13-15(16(28)12-23)25(14,24)20(23)26/h6-7,15,20H,5,8-13H2,1-4H3/p+1/t15-,20+,23-,24-,25+/m1/s1

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InChIKey: SADNZWUIRNBYPP-COBYOQRRSA-O

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Properties Information

Molecule Weight: 471.5300000000004

TPSA: 95.81

MolLogP: 0.8699000000000008

Number of H-Donors: 1

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information