ISOPENNICLAVINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18N2O2
Molecular Weight	270.3263
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12CC3=CNC4=C3C(=CC=C4)C1=C[C@](O)(CO)CN2C

InChI

InChIKey=KCHBNRCSCHMJFD-GDBMZVCRSA-N

InChI=1S/C16H18N2O2/c1-18-8-16(20,9-19)6-12-11-3-2-4-13-15(11)10(7-17-13)5-14(12)18/h2-4,6-7,14,17,19-20H,5,8-9H2,1H3/t14-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H18N2O2
Molecular Weight	270.3263
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:14:05 GMT 2023` Edited by `admin` on `Sat Dec 16 10:14:05 GMT 2023`
Record UNII	957F5HGG0I
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ISOPENNICLAVINE

Common Name

English

9,10-DIDEHYDRO-8.BETA.-HYDROXY-6-METHYLERGOLINE-8-METHANOL

Systematic Name

English

ERGOLINE-8.ALPHA.-METHANOL, 9,10-DIDEHYDRO-8-HYDROXY-6-METHYL-

Systematic Name

English

ISOPENNICLAVIN

Common Name

English

J691.021A

Code

English

ERGOLINE-8-METHANOL, 9,10-DIDEHYDRO-8-HYDROXY-6-METHYL-, (8.BETA.)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

12311156

Created by admin on Sat Dec 16 10:14:05 GMT 2023 , Edited by admin on Sat Dec 16 10:14:05 GMT 2023

PRIMARY

FDA UNII

957F5HGG0I

Created by admin on Sat Dec 16 10:14:05 GMT 2023 , Edited by admin on Sat Dec 16 10:14:05 GMT 2023

PRIMARY

CAS

478-92-2

Created by admin on Sat Dec 16 10:14:05 GMT 2023 , Edited by admin on Sat Dec 16 10:14:05 GMT 2023

PRIMARY

EPA CompTox

DTXSID60963945

Created by admin on Sat Dec 16 10:14:05 GMT 2023 , Edited by admin on Sat Dec 16 10:14:05 GMT 2023

PRIMARY

Related Record Type Details


					I85W45B4WB

IPOMOEA NIL SEED

PARENT -> POSSIBLE ACTIVE CONSTITUENT ALWAYS PRESENT

Comments:

(From SciFinder) Kaladana seeds from Pakistan were qual., but not quant., identical to Ipomoea hederacea seeds. Both seeds contained lysergol, chanolcavine, penniclavine, isopenniclavine, and elymoclavine. Neither contained agroclavine, ergometrine, lysergic acid amide, isolysergic acid amide, lysergic acid carbinol amide, and isolysergic acid carbinol amide. Methods are given for extg. total and individual alkaloids, alkaloidal contents, and chromatog. procedures.

Qualification:

Scientific Literature