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Details

Stereochemistry ABSOLUTE
Molecular Formula C29H30N4O7
Molecular Weight 546.5722
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TRYPTOQUIVALINE

SMILES

CC(C)[C@@]([H])(c1nc2ccccc2c(=O)n1[C@]3([H])C[C@@]4(c5ccccc5N6[C@@]4([H])N(C(C)(C)C6=O)O)OC3=O)OC(=O)C

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 546.5722
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
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
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
Acyclovir is a substrate for the human breast cancer resistance protein (BCRP/ABCG2): implications for renal tubular transport and acyclovir-induced nephrotoxicity.
2011 Sep
Assessment of ABCG2-mediated transport of xenobiotics across the blood-milk barrier of dairy animals using a new MDCKII in vitro model.
2013 Sep
Substance Class Chemical
Created
by admin
on Sat Jun 26 14:36:14 UTC 2021
Edited
by admin
on Sat Jun 26 14:36:14 UTC 2021
Record UNII
CW5S8OP3VO
Record Status Validated (UNII)
Record Version
  • Download
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
Created by admin on Sat Jun 26 14:36:14 UTC 2021 , Edited by admin on Sat Jun 26 14:36:14 UTC 2021
PRIMARY
PUBCHEM
108075
Created by admin on Sat Jun 26 14:36:14 UTC 2021 , Edited by admin on Sat Jun 26 14:36:14 UTC 2021
PRIMARY
CAS
55387-45-6
Created by admin on Sat Jun 26 14:36:14 UTC 2021 , Edited by admin on Sat Jun 26 14:36:14 UTC 2021
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE
Tryptoquivaline is tremor-producing metabolite from Aspergillus clavatus.