12-Amino-6,13-cyclo-3,5,15-trihydroxy-14-lathyranone; (2β,3β,5α,6α,12α,13α,15β)-form, 3-E-Cinnamoyl, N-Ac 

AlkaPlorer ID: AK284625

Synonym: Sooneuphoramine

IUPAC Name: None

Structure

SMILES: CC(=O)NC1C2C(CCC3(C)C(O)C4C(OC(=O)/C=C/C5=CC=CC=C5)C(C)CC4(O)C(=O)C13C)C2(C)C

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InChI: InChI=1S/C31H41NO6/c1-17-16-31(37)23(24(17)38-21(34)13-12-19-10-8-7-9-11-19)26(35)29(5)15-14-20-22(28(20,3)4)25(32-18(2)33)30(29,6)27(31)36/h7-13,17,20,22-26,35,37H,14-16H2,1-6H3,(H,32,33)/b13-12+

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InChIKey: BRKUJKHPZWCWLV-OUKQBFOZSA-N

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Reference

CAS: 2108085-77-2

Source

Properties Information

Molecule Weight: 523.6700000000003

TPSA: 112.93

MolLogP: 3.5256000000000025

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information