Consperine

AlkaPlorer ID: AK153883

Synonym: '6-acetonyl-11-O-acetylcorynoline'

IUPAC Name: [(1S,12R,13S,23S)-13,24-dimethyl-23-(2-oxopropyl)-5,7,18,20-tetraoxa-24-azahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-2,4(8),9,14(22),15,17(21)-hexaen-12-yl] acetate

Structure

SMILES: CC(=O)C[C@H]1C2=C3OCOC3=CC=C2[C@@]2(C)[C@H](C3=CC4=C(C=C3C[C@H]2OC(C)=O)OCO4)N1C

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InChI: InChI=1S/C26H27NO7/c1-13(28)7-18-23-17(5-6-19-24(23)33-12-30-19)26(3)22(34-14(2)29)9-15-8-20-21(32-11-31-20)10-16(15)25(26)27(18)4/h5-6,8,10,18,22,25H,7,9,11-12H2,1-4H3/t18-,22+,25-,26+/m0/s1

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InChIKey: QNWHWSOSMRYOOT-NZZVAQPWSA-N

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Source

Properties Information

Molecule Weight: 465.5020000000003

TPSA: 83.53

MolLogP: 3.5964000000000027

Number of H-Donors: 0

Number of H-Acceptors: 8

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information