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name Structure Reference Source Properties Activities Metabolism

(1S,2S,4S,6S,9R,10S,11S,13S,14R,15S,16R,17R,18S)-8-ethyl-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.1¹⁴,¹⁷.0¹,⁹.0⁴,⁶.0⁶,¹⁸.0¹¹,¹⁶]icosane-2,11-diol

AlkaPlorer ID: AK224129

Synonym: None

IUPAC Name: (1S,2S,4S,6S,9R,10S,11S,13S,14R,15S,16R,17R,18S)-8-ethyl-13,15-dimethoxy-5-oxa-8-azaheptacyclo[8.7.2.114,17.01,9.04,6.06,18.011,16]icosane-2,11-diol

Structure

SMILES: CCN1C[C@]23O[C@H]2C[C@H](O)[C@@]24[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]32)[C@@H]14

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InChI: InChI=1S/C22H33NO5/c1-4-23-9-21-14-6-12-19(23)22(14,15(24)7-16(21)28-21)11-5-10-13(26-2)8-20(12,25)17(11)18(10)27-3/h10-19,24-25H,4-9H2,1-3H3/t10-,11-,12+,13+,14-,15+,16+,17-,18+,19-,20+,21-,22-/m1/s1

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InChIKey: BSBCHFAQVMPCHU-BBVNYELESA-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: 391.50800000000015

TPSA？: 74.69000000000001

MolLogP？: 0.6459000000000006

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information