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

COC[C@@]12CC[C@H](OC)[C@@]34[C@@H]5C[C@@]6(O)[C@H](OC(=O)C7=CC=CC=C7)[C@@H]5[C@@](OC(C)=O)([C@@H]([C@H](OC)[C@H]13)[C@H]4N(C)C2)[C@@H](O)[C@@H]6OC

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	14 / 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 555
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 8504

Substance Class	Chemical Created by `admin` on `Mon Mar 31 20:11:50 GMT 2025` Edited by `admin` on `Mon Mar 31 20:11:50 GMT 2025`
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.)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

91973803