Complanadine E

AlkaPlorer ID: AK066790

Synonym: None

IUPAC Name: (1R,9S,10R,16R)-16-methyl-4-[(1R,2R,5S,7R,9S,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadecan-5-yl]-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene

Structure

SMILES: C[C@@H]1C[C@H]2C[C@H]3N[C@H](C4=CC5=C(C[C@@H]6C[C@@H](C)C[C@]57NCCC[C@H]67)N=C4)CC[C@H]3[C@]3(C1)NCCC[C@H]23

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InChI: InChI=1S/C32H48N4/c1-19-12-22-15-30-26(31(16-19)24(22)5-3-9-34-31)7-8-28(36-30)23-13-27-29(33-18-23)14-21-11-20(2)17-32(27)25(21)6-4-10-35-32/h13,18-22,24-26,28,30,34-36H,3-12,14-17H2,1-2H3/t19-,20-,21+,22+,24-,25-,26-,28+,30-,31-,32-/m1/s1

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InChIKey: IRZUNWKJFGYZDJ-RCMTYSEESA-N

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Properties Information

Molecule Weight: 488.7640000000004

TPSA: 48.98

MolLogP: 5.476200000000005

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Beta-nerve growth factor FC 2.8 None 10.1016/j.bmc.2010.12.025

Metabolism Information