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name Structure Reference Source Properties Activities Metabolism

(1S,2R,4S,5R,7R,8R,10S,11R,14R,17S,18R)-12-ethyl-14-methyl-6-methylidene-12-azahexacyclo[8.7.1.1⁵,⁸.0¹,¹¹.0²,⁸.0¹⁴,¹⁸]nonadecane-4,7,17-triol

AlkaPlorer ID: AK238299

Synonym: None

IUPAC Name: (1S,2R,4S,5R,7R,8R,10S,11R,14R,17S,18R)-12-ethyl-14-methyl-6-methylidene-12-azahexacyclo[8.7.1.15,8.01,11.02,8.014,18]nonadecane-4,7,17-triol

Structure

SMILES: C=C1[C@H]2C[C@@]3(C[C@H]4[C@@H]5[C@@]6(C)CC[C@H](O)[C@]5([C@@H]3C[C@@H]2O)[C@@H]4N(CC)C6)[C@@H]1O

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InChI: InChI=1S/C22H33NO3/c1-4-23-10-20(3)6-5-16(25)22-15-7-14(24)12-8-21(15,19(26)11(12)2)9-13(17(20)22)18(22)23/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: IZUTYRYPLISYDD-HTUIXSMLSA-N

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Source

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

Properties Information

Molecule Weight: 359.5100000000001

TPSA？: 63.93000000000001

MolLogP？: 1.7917999999999998

Number of H-Donors: 3

Number of H-Acceptors: 4

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information