HYPACONITINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C33H45NO10
Molecular Weight	615.7111
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12[C@H]3C[C@@](O)([C@@H]1OC(=O)C4=CC=CC=C4)[C@@H](OC)[C@H](O)[C@]2(OC(C)=O)[C@H]5[C@H](OC)[C@@]6([H])[C@]37C5N(C)C[C@]6(COC)CC[C@@H]7OC

InChI

InChIKey=FIDOCHXHMJHKRW-FBYRGYIKSA-N

InChI=1S/C33H45NO10/c1-17(35)44-33-21-19(14-31(38,28(42-6)26(33)36)27(21)43-29(37)18-10-8-7-9-11-18)32-20(40-4)12-13-30(16-39-3)15-34(2)25(32)22(33)23(41-5)24(30)32/h7-11,19-28,36,38H,12-16H2,1-6H3/t19-,20+,21-,22+,23+,24-,25-,26+,27-,28+,30+,31-,32+,33-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C33H45NO10
Molecular Weight	615.7111
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 14
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
nerve compound action potential 1 Target ID: nerve compound action potential Sources: https://www.ncbi.nlm.nih.gov/pubmed/2385329	Blocker 537
Potassium voltage-gated channel subfamily H member 2 6 Target ID: Q12809\|\|\|Q9BUT7 Gene ID: 3757.0 Gene Symbol: KCNH2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/25800797	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:37:07 GMT 2023` Edited by `admin` on `Fri Dec 15 20:37:07 GMT 2023`
Record UNII	5207313N6E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HYPACONITINE

Common Name

English

ACONITANE-8,13,14,15-TETROL, 1,6,16-TRIMETHOXY-4-(METHOXYMETHYL)-20-METHYL-, 8-ACETATE 14-BENZOATE, (1.ALPHA.,6.ALPHA.,14.ALPHA.,15.ALPHA.,16.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91973803