BULLEYACONITINE A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C35H49NO10
Molecular Weight	643.7643
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@]3(O)[C@H](OC(=O)C4=CC=C(OC)C=C4)[C@]1([H])[C@@](C[C@@H]3OC)(OC(C)=O)[C@@]5([H])[C@H](OC)[C@@]6([H])[C@@]27[C@H](CC[C@@]6(COC)CN(CC)[C@]57[H])OC

InChI

InChIKey=GAZDXIGXYWVWQX-NWDFBOQYSA-N

InChI=1S/C35H49NO10/c1-8-36-17-32(18-40-3)14-13-23(42-5)35-22-15-33(39)24(43-6)16-34(46-19(2)37,26(29(35)36)27(44-7)28(32)35)25(22)30(33)45-31(38)20-9-11-21(41-4)12-10-20/h9-12,22-30,39H,8,13-18H2,1-7H3/t22-,23+,24+,25-,26+,27+,28-,29?,30-,32+,33-,34-,35+/m1/s1

HIDE SMILES / InChI

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sodium channel protein type X alpha subunit 9 Target ID: CHEMBL5451 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29783906	Blocker 537
Sodium channel protein type IX alpha subunit 21 Target ID: CHEMBL4296 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29783906	Blocker 537
Sodium channel protein type III alpha subunit 18 Target ID: CHEMBL5163 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29783906	Blocker 537

Name

Type

Language

BULLEYACONITINE A

Common Name

English

METHANONE, ((1.ALPHA.,6.ALPHA.,14.ALPHA.,16.BETA.)-8-(ACETYLOXY)-20-ETHYL-13-HYDROXY-1,6,16-TRIMETHOXY-4-(METHOXYMETHYL) ACONITAN-14-YL)(4-METHOXYPHENYL)-

Common Name

English

Bulleyaconitine A [WHO-DD]

Common Name

English

METHANONE, ((1-ALPHA,6-ALPHA,14-ALPHA,16-BETA)-8- (ACETYLOXY)-20-ETHYL-13-HYDROXY-1,6,16-TRIMETHOXY-4- (METHOXYMETHYL)ACONITAN-14-YL)(4-METHOXYPHENYL)-

Common Name

English

Code System Code Type Description

CAS

107668-79-1