AKUAMMINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26N2O4
Molecular Weight	382.4528
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(O)=CC=C6N(C)[C@@]24OC[C@@]35C(=O)OC)=C/C

InChI

InChIKey=YILKZADAWNUTTB-QLWRWLBVSA-N

InChI=1S/C22H26N2O4/c1-4-13-11-24-8-7-21-16-9-14(25)5-6-17(16)23(2)22(21)18(24)10-15(13)20(21,12-28-22)19(26)27-3/h4-6,9,15,18,25H,7-8,10-12H2,1-3H3/b13-4-/t15-,18-,20-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C22H26N2O4
Molecular Weight	382.4528
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	Condition	Potency
Plasmodium falciparum 74 Target ID: CHEMBL364 Sources: https://www.ncbi.nlm.nih.gov/pubmed/8302957	Inhibitor 8297
Kappa-type opioid receptor 60 Target ID: P41145 Gene ID: 4986.0 Gene Symbol: OPRK1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/1317407	Interacts 323
Mu-type opioid receptor 61 Target ID: P35372\|\|\|G8XRH8\|\|\|Q5TDA1\|\|\|Q9UN57 Gene ID: 4988.0 Gene Symbol: OPRM1 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/1317407	Interacts 323

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 07:54:50 GMT 2023` Edited by `admin` on `Sat Dec 16 07:54:50 GMT 2023`
Record UNII	0421AQV5W3
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AKUAMMINE

Common Name

English

AKUAMMINE [MI]

Common Name

English

AKUAMMIN

Common Name

English

VINCAMAJORIDINE

Common Name

English

(-)-AKUAMMINE

Common Name

English

VINCAMAJORIDIN

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-9-HYDROXY-12-METHYL-, METHYL ESTER, (2S-(2.ALPHA.,3E,7A.ALPHA.,12A.ALPHA.,12B.BETA.,15S*))-

Systematic 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-9-HYDROXY-12-METHYL-, METHYL ESTER, (2S,3E,7AS,12AS,12BS,15R)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

13491909