NCBI Taxonomy: 279769

HETISINE

C20H27NO3 (329.1991)

Annotation level-1

Atisine

C22H33NO2 (343.2511)

A organic heterohexacyclic compound and diterpene alkaloid isolated from Aconitum anthora. In solution, it is a 2:1 mixture of readily interconvertible epimers at position 20 (the carbon attached to both the nitrogen and an oxygen atom).

Anthorine

C22H33NO2 (343.2511)

12-ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one

C22H33NO4 (375.2409)

(1r,3r,4s,5s,8r,9s,11s,14s,17s,18r)-3,4-dihydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-10,16-dione

C21H27NO4 (357.194)

(1s,3s,5r,8r,9s,10r,11r,14r,16s,17r,18r,19s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10,19-triol

C20H27NO3 (329.1991)

(1s,2r,3s,6r,9s,10r,11r,14r,17s,18r,19s)-12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one

C22H33NO5 (391.2359)

(1s,2s,4s,6r,7s,10r,11r)-6-hydroxy-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecan-8-one

C22H33NO3 (359.246)

(1s,2r,4r,6r,7r,10r,11s,17r)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹³,¹⁷]docosan-6-ol

C22H33NO2 (343.2511)

(1s,2r,4r,6s,7r,10s,11s,17s)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹³,¹⁷]docosan-6-ol

C22H33NO2 (343.2511)

atisine

C22H33NO2 (343.2511)

{"Ingredient_id": "HBIN017279","Ingredient_name": "atisine","Alias": "NA","Ingredient_formula": "C22H33NO2","Ingredient_Smile": "CC12CCCC3(C1CCC45C3CC(CC4)C(=C)C5O)C6N(C2)CCO6","Ingredient_weight": "343.5 g/mol","OB_score": "NA","CAS_id": "NA","SymMap_id": "SMIT01280","TCMID_id": "1964","TCMSP_id": "NA","TCM_ID_id": "6504;19590;19591;21569","PubChem_id": "135897293","DrugBank_id": "NA"}

(1s,2r,3s,6r,9s,10r,11r,14r,17s,18r,19s)-12-ethyl-9,17,19-trihydroxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one

C21H31NO5 (377.2202)

(1s,2s,4r,6r,7r,10r,11s)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecan-6-ol

C22H35NO2 (345.2668)

(1r,2s,6r,7s,10s,11r,12s)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹²,¹⁶]docosan-6-ol

C22H33NO2 (343.2511)

(1r,2s,4r,6r,7r,10s,11s,12s)-11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹²,¹⁶]docosan-6-ol

C22H33NO2 (343.2511)

(3s,5r,8r,14s,18r)-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl acetate

C23H29NO4 (383.2096)

(1s,2s,4s,6r,7s,10r,11r)-13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecan-6-ol

C22H35NO2 (345.2668)

12-ethyl-9,17-dihydroxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one

C21H31NO4 (361.2253)

(1s,2r,3s,6r,9s,10s,11r,14r,17s,18r)-12-ethyl-9-hydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one

C22H33NO4 (375.2409)

12-ethyl-9,17,19-trihydroxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one

C21H31NO5 (377.2202)

11-methyl-5-methylidene-13-oxa-16-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹²,¹⁶]docosan-6-ol

C22H33NO2 (343.2511)

13-(2-hydroxyethyl)-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecan-6-ol

C22H35NO2 (345.2668)

(1s,3s,5r,8r,9s,10r,11r,14r,16s,17r,18s,19s)-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10,19-triol

C20H27NO3 (329.1991)

12-ethyl-9,19-dihydroxy-17-methoxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one

C22H33NO5 (391.2359)

(1r,3s,5r,8r,9s,11s,14s,17r,18r)-5,7-dimethyl-12-methylidene-10,16-dioxo-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecan-3-yl acetate

C23H29NO4 (383.2096)

6-hydroxy-11-methyl-5-methylidene-13-oxapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecan-12-one

C20H28O3 (316.2038)

(1s,2r,4r,6s,7r,10s,11s,17r)-11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹³,¹⁷]docosan-6-ol

C22H33NO2 (343.2511)

11-methyl-5-methylidene-16-oxa-13-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹³,¹⁷]docosan-6-ol

C22H33NO2 (343.2511)

(1s,2r,4r,6r,7r,10s,11s,12s)-11-methyl-5-methylidene-14-oxa-16-azahexacyclo[9.6.3.2⁴,⁷.0¹,¹⁰.0²,⁷.0¹²,¹⁶]docosan-6-ol

C22H33NO2 (343.2511)

5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁷,¹⁶.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-3,10,19-triol

C20H27NO3 (329.1991)

(1s,2r,3s,6r,9s,10s,11r,14r,17s,18r)-12-ethyl-9,17-dihydroxy-14-methyl-5-oxa-12-azahexacyclo[8.7.2.1²,⁶.0¹,¹¹.0³,⁹.0¹⁴,¹⁸]icosan-4-one

C21H31NO4 (361.2253)

(1r,3r,4s,5s,8r,9s,11s,17s,18r)-3,4-dihydroxy-5,7-dimethyl-12-methylidene-7-azahexacyclo[9.6.2.0¹,⁸.0⁵,¹⁷.0⁹,¹⁴.0¹⁴,¹⁸]nonadecane-10,16-dione

C21H27NO4 (357.194)

(1r,2r,4s,6s,7s,10r,11s)-6-hydroxy-11-methyl-5-methylidene-13-oxapentacyclo[9.3.3.2⁴,⁷.0¹,¹⁰.0²,⁷]nonadecan-12-one

C20H28O3 (316.2038)