PSEUDOAKUAMMIGINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26N2O3
Molecular Weight	366.4534
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12C[C@H]3\C(CN1CC[C@@]45C6=CC=CC=C6N(C)[C@@]24OC[C@@]35C(=O)OC)=C/C

InChI

InChIKey=HAGBWVNSVWLTKY-ZFWLQQAWSA-N

InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21)18(24)11-16(14)20(21,13-27-22)19(25)26-3/h4-8,16,18H,9-13H2,1-3H3/b14-4-/t16-,18-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H26N2O3
Molecular Weight	366.4534
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Mu-type opioid receptor 61 Target ID: P97266 Gene ID: NA Gene Symbol: OPRM1 Target Organism: Cavia porcellus (Guinea pig) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9683021	Interacts 323	0.89 µM [Ki]
Kappa-type opioid receptor 60 Target ID: P41144 Gene ID: 1.00135584E8 Gene Symbol: OPRK1 Target Organism: Cavia porcellus (Guinea pig) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9683021	Interacts 323	0.92 µM [Ki]
UniProtKB - A0A286XTF2 (A0A286XTF2_CAVPO) 1 Target ID: UniProtKB - A0A286XTF2 (A0A286XTF2_CAVPO) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9683021	Interacts 323	5.95 µM [Ki]

PubMed

Title	Date	PubMed
Current progress in the chemistry and pharmacology of akuammiline alkaloids.	2003 Sep	12871110

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:44:19 GMT 2023` Edited by `admin` on `Sat Dec 16 10:44:19 GMT 2023`
Record UNII	674R7808HC
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PSEUDOAKUAMMIGINE

Common Name

English

DEOXYAKUAMMINE

Common Name

English

2H,12H-12A,2,7A-(EPOXYETHANYLYLIDENE)INDOLO(2,3-A)QUINOLIZINE-15-CARBOXYLIC ACID, 3-ETHYLIDENE-1,3,4,6,7,12B-HEXAHYDRO-12-METHYL-, METHYL ESTER, (2S,3E,7AS,12AS,12BS,15R)-

Systematic Name

English

AKUAMMINE, 10-DEOXY-

Common Name

English

NSC-381082

Code

English

.OMEGA.-AKUAMMIGINE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID701336401