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name Structure Reference Source Properties Activities Metabolism

(1R,2S,3S,4S,5S,6R,8R,9R,10S,13R,16R,17R)-11-ethyl-4,6-dimethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecane-8,13,16-triol

AlkaPlorer ID: AK154437

Synonym: None

IUPAC Name: (1R,2S,3S,4S,5S,6R,8R,9R,10S,13R,16R,17R)-11-ethyl-4,6-dimethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-8,13,16-triol

Structure

SMILES: CCN1C[C@@]2(O)CC[C@@H](O)[C@@]34[C@@H]1[C@@H](C[C@@H]23)[C@]1(O)C[C@@H](OC)[C@@H]2C[C@H]4[C@H]1[C@H]2OC

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InChI: InChI=1S/C22H35NO5/c1-4-23-10-20(25)6-5-16(24)22-12-7-11-14(27-2)9-21(26,17(12)18(11)28-3)13(19(22)23)8-15(20)22/h11-19,24-26H,4-10H2,1-3H3/t11-,12-,13+,14+,15-,16+,17-,18-,19-,20-,21+,22-/m0/s1

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InChIKey: MXPKDWCRJAGSTO-JPTQBTKOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aconitum monticola Aconitum Ranunculaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 393.5240000000001

TPSA？: 82.39000000000001

MolLogP？: 0.6295000000000006

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information