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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK012461

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(O)CC[C@H](OC)[C@@]34[C@@H]2C[C@@H]([C@@H]13)[C@@]1(O)C[C@H](OC)[C@H]2C[C@@H]4[C@]1(O)[C@H]2OC

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InChI: InChI=1S/C23H37NO6/c1-5-24-11-20(25)7-6-17(29-3)22-15(20)9-13(18(22)24)21(26)10-14(28-2)12-8-16(22)23(21,27)19(12)30-4/h12-19,25-27H,5-11H2,1-4H3/t12-,13+,14+,15-,16+,17+,18-,19+,20-,21+,22+,23+/m1/s1

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InChIKey: ZBSZKFYYJKXUHF-NXZWYGSFSA-N

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Source

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

Properties Information

Molecule Weight: 423.5500000000002

TPSA？: 91.62000000000002

MolLogP？: 0.3985000000000012

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information