ESEROLINE

[H][C@]12N(C)CC[C@@]1(C)C3=CC(O)=CC=C3N2C

InChIKey=HKGWQUVGHPDEBZ-OLZOCXBDSA-N

InChI=1S/C13H18N2O/c1-13-6-7-14(2)12(13)15(3)11-5-4-9(16)8-10(11)13/h4-5,8,12,16H,6-7H2,1-3H3/t12-,13+/m1/s1

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Targets

Primary Target	Pharmacology	Condition	Potency
Mu opioid receptor 221 Target ID: CHEMBL270 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1317407 \| https://www.ncbi.nlm.nih.gov/pubmed/3023611	Agonist 2678		300.0 nM [IC50]
Acetylcholinesterase 207 Target ID: CHEMBL220 Sources: https://www.ncbi.nlm.nih.gov/pubmed/7092918	Inhibitor 8297		0.22 µM [Ki]

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:38:27 UTC 2023` Edited by `admin` on `Fri Dec 15 19:38:27 UTC 2023`
Record UNII	Q22H41O18D
Record Status	`Validated (UNII)`
Record Version

Name

Type

Language

ESEROLINE

Common Name

English

(3AS,8AR)-1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYLPYRROLO(2,3-B)INDOL-5-OL

Systematic Name

English

NIH 10398

Code

English

PYRROLO(2,3-B)INDOL-5-OL, 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYL-, (3AS-CIS)-

Systematic Name

English

ESEROLINE, (-)-

Common Name

English

MCV 4481

Code

English

PYRROLO(2,3-B)INDOL-5-OL, 1,2,3,3A,8,8A-HEXAHYDRO-1,3A,8-TRIMETHYL-, (3AS,8AR)-

Systematic Name

English

(-)-ESEROLINE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID30891448