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name Structure Reference Source Properties Activities Metabolism

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

AlkaPlorer ID: AK241662

Synonym: None

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

Structure

SMILES: CCN1C[C@]2(CO)CC[C@H](O)[C@@]34[C@@H]5C[C@H]6[C@H](O)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@H](C[C@H]23)[C@@H]14

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InChI: InChI=1S/C22H35NO5/c1-3-23-9-20(10-24)5-4-16(25)22-12-6-11-14(28-2)8-21(27,17(12)18(11)26)13(19(22)23)7-15(20)22/h11-19,24-27H,3-10H2,1-2H3/t11-,12-,13+,14+,15-,16+,17-,18+,19-,20+,21+,22-/m1/s1

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InChIKey: VGMSYPBIRZMVCJ-JEJCSOMWSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Angelica pubescens Angelica Apiaceae Apiales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 393.52400000000017

TPSA？: 93.39

MolLogP？: 0.2230000000000001

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information