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name Structure Reference Source Properties Activities Metabolism

(1R,2S,4R,5R,7R,8R,9R,10R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.1⁵,⁸.0¹,¹⁰.0²,⁸.0¹³,¹⁷]nonadecane-4,7,16-triol

AlkaPlorer ID: AK339098

Synonym: None

IUPAC Name: (2R,4R,5R,7R,8R,13R,16S,17R)-11-ethyl-13-methyl-6-methylidene-11-azahexacyclo[7.7.2.15,8.01,10.02,8.013,17]nonadecane-4,7,16-triol

Structure

SMILES: C=C1[C@H]2C[C@@]3(C4C[C@H]5C6(C4N(CC)C[C@]5(C)CC[C@@H]6O)[C@@H]3C[C@H]2O)[C@@H]1O

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InChI: InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-17(25)22-15(20)7-13(18(22)23)21-9-12(11(2)19(21)26)14(24)8-16(21)22/h12-19,24-26H,2,4-10H2,1,3H3/t12-,13?,14-,15-,16-,17+,18?,19-,20+,21+,22?/m1/s1

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InChIKey: AZAZKLKDEOMJBJ-BIRUPTRXSA-N

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Source

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

Properties Information

Molecule Weight: 359.51

TPSA？: 63.93000000000001

MolLogP？: 1.7917999999999998

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information