Channaine

AlkaPlorer ID: AK047531

Synonym: None

IUPAC Name: (1S,3R,7S,10S,12R,14R,15S)-7,15-bis(3,4-dimethoxyphenyl)-19-oxa-4,18-diazahexacyclo[10.6.1.01,9.03,7.010,15.014,18]nonadec-8-en-12-ol

Structure

SMILES: COC1=CC=C([C@@]23CCN4[C@@H]2C[C@@]2(O)C[C@@H]3C3=C[C@]5(C6=CC=C(OC)C(OC)=C6)CCN[C@@H]5C[C@]34O2)C=C1OC

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InChI: InChI=1S/C32H38N2O6/c1-36-23-7-5-19(13-25(23)38-3)29-9-11-33-27(29)17-32-22(15-29)21-16-30(35,40-32)18-28-31(21,10-12-34(28)32)20-6-8-24(37-2)26(14-20)39-4/h5-8,13-15,21,27-28,33,35H,9-12,16-18H2,1-4H3/t21-,27-,28-,29+,30-,31-,32+/m1/s1

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InChIKey: FOAPBJMMOXYHAN-DWNBLKMBSA-N

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Reference

PubChem CID: 162891031

SuperNatural Ⅲ: SN0090896-10

NPASS: NPC183010

Properties Information

Molecule Weight: 546.6640000000003

TPSA: 81.65000000000002

MolLogP: 3.501800000000002

Number of H-Donors: 2

Number of H-Acceptors: 8

RingCount: 9

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information