TRYPTOQUIVALINE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H30N4O7
Molecular Weight	546.5711
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12N(O)C(C)(C)C(=O)N1C3=CC=CC=C3[C@@]24C[C@@H](N5C(=O)C6=C(C=CC=C6)N=C5[C@@H](OC(C)=O)C(C)C)C(=O)O4

InChI

InChIKey=CYNVLFGDEQQUPE-LDWWEUSWSA-N

InChI=1S/C29H30N4O7/c1-15(2)22(39-16(3)34)23-30-19-12-8-6-10-17(19)24(35)31(23)21-14-29(40-25(21)36)18-11-7-9-13-20(18)32-26(29)33(38)28(4,5)27(32)37/h6-13,15,21-22,26,38H,14H2,1-5H3/t21-,22+,26+,29+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C29H30N4O7
Molecular Weight	546.5711
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Expression and function of ABCB1 and ABCG2 in human placental tissue.	2005 Apr	15640379
Breast cancer resistance protein (Bcrp1/Abcg2) limits net intestinal uptake of quercetin in rats by facilitating apical efflux of glucuronides.	2005 Jun	15749994
Lapatinib (Tykerb, GW572016) reverses multidrug resistance in cancer cells by inhibiting the activity of ATP-binding cassette subfamily B member 1 and G member 2.	2008 Oct 1	18829547
In vitro and in vivo interaction of moxidectin with BCRP/ABCG2.	2009 Jun 15	19428349
Culture period-dependent change of function and expression of ATP-binding cassette transporters in Caco-2 cells.	2009 Sep	19505989
Chrysin blocks topotecan-induced apoptosis in Caco-2 cells in spite of inhibition of ABC-transporters.	2010 Aug 15	20457140
Role of P-glycoprotein and breast cancer resistance protein-1 in the brain penetration and brain pharmacodynamic activity of the novel phosphatidylinositol 3-kinase inhibitor GDC-0941.	2010 Sep	20522663
Acyclovir is a substrate for the human breast cancer resistance protein (BCRP/ABCG2): implications for renal tubular transport and acyclovir-induced nephrotoxicity.	2011 Sep	21859328
Assessment of ABCG2-mediated transport of xenobiotics across the blood-milk barrier of dairy animals using a new MDCKII in vitro model.	2013 Sep	23652544

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:43:28 GMT 2023` Edited by `admin` on `Fri Dec 15 19:43:28 GMT 2023`
Record UNII	CW5S8OP3VO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

TRYPTOQUIVALINE

Common Name

English

SPIRO(FURAN-2(5H),9'-(9H)IMIDAZO(1,2-A)INDOLE)-3',5(2'H)-DIONE, 4-(2-(1-(ACETYLOXY)-2-METHYLPROPYL)-4-OXO-3(4H)-QUINAZOLINYL)-1',3,4,9'A-TETRAHYDRO-1'-HYDROXY-2',2'-DIMETHYL-, (9'S-(9'.ALPHA.(4S*(R*)),9'A.BETA.))-

Common Name

English

SPIRO(FURAN-2(5H),9'-(9H)IMIDAZO(1,2-A)INDOLE)-3',5(2'H)-DIONE, 4-(2-((1S)-1-(ACETYLOXY)-2-METHYLPROPYL)-4-OXO-3(4H)-QUINAZOLINYL)-1',3,4,9'A-TETRAHYDRO-1'-HYDROXY-2',2'-DIMETHYL-, (2S,4R,9'AS)-

Common Name

English

TRYPTOQUIVALINE C

Common Name

English

FUMITREMORGIN C

Common Name

English

TRYPTOQUIVALINE A

Common Name

English

Code System Code Type Description

FDA UNII

CW5S8OP3VO