PENITREM A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C37H44ClNO6
Molecular Weight	634.201
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12C[C@@]3([H])[C@@]1(O)C4=C5C(NC6=C5[C@@]([H])(OC3(C)C)[C@]7([H])CC[C@@]8(O)[C@@]9%10O[C@@H]9[C@@H](O)[C@H](O[C@@]%10([H])CC[C@]8(C)[C@@]67C)C(C)=C)=CC(Cl)=C4CC2=C

InChI

InChIKey=JDUWHZOLEDOQSR-JKPSMKLGSA-N

InChI=1S/C37H44ClNO6/c1-15(2)28-27(40)31-37(45-31)23(43-28)9-10-33(6)34(7)18(8-11-35(33,37)41)29-25-24-21(39-30(25)34)14-20(38)17-12-16(3)19-13-22(32(4,5)44-29)36(19,42)26(17)24/h14,18-19,22-23,27-29,31,39-42H,1,3,8-13H2,2,4-7H3/t18-,19+,22+,23-,27-,28+,29-,31+,33+,34+,35-,36+,37-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C37H44ClNO6
Molecular Weight	634.201
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
MAPK signaling pathway 26 Target ID: map04010 Sources: https://www.ncbi.nlm.nih.gov/pubmed/29037868	Activator 1430
GABA-A receptor; benzodiazepine site 38 Target ID: CHEMBL2109243 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21924313	Positive Allosteric Modulator 179
GABA-A receptor; anion channel 202 Target ID: CHEMBL2093872 Sources: https://www.ncbi.nlm.nih.gov/pubmed/21924313	Positive Allosteric Modulator 179

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:03:30 UTC 2023` Edited by `admin` on `Sat Dec 16 10:03:30 UTC 2023`
Record UNII	244AU85PR7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PENITREM A

Common Name

English

NSC-354845

Code

English

Code System Code Type Description

NSC

354845