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name Structure Reference Source Properties Activities Metabolism

(1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadec-11-ene-8,9-diol

AlkaPlorer ID: AK143172

Synonym: None

IUPAC Name: (1S,2R,3R,4S,5R,6S,8R,9S,10S,13R,16S,17R,18S)-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadec-11-ene-8,9-diol

Structure

SMILES: CO[C@H]1[C@@H]2C[C@@H]3[C@H]1[C@](O)(C[C@@H]2OC)[C@@]1(O)[C@@H](OC)[C@@H]2[C@@H]4C=N[C@H]1[C@@]23[C@@H](OC)CC4

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InChI: InChI=1S/C22H33NO6/c1-26-13-8-20(24)16-12(7-11(13)17(16)28-3)21-14(27-2)6-5-10-9-23-19(21)22(20,25)18(29-4)15(10)21/h9-19,24-25H,5-8H2,1-4H3/t10-,11+,12+,13-,14-,15-,16+,17-,18-,19-,20+,21-,22+/m0/s1

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InChIKey: DQWXBKQMXDMQET-NYSGAABESA-N

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Source

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

Properties Information

Molecule Weight: 407.5070000000002

TPSA？: 89.74000000000001

MolLogP？: 0.6574000000000004

Number of H-Donors: 2

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information