U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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 of TRYPTOQUIVALINE

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

PubMed

TitleDatePubMed
Expression and function of ABCB1 and ABCG2 in human placental tissue.
2005 Apr
In vitro and in vivo interaction of moxidectin with BCRP/ABCG2.
2009 Jun 15
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 Thu Jul 06 02:46:12 UTC 2023
Edited
by admin
on Thu Jul 06 02:46:12 UTC 2023
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 Thu Jul 06 02:46:12 UTC 2023 , Edited by admin on Thu Jul 06 02:46:12 UTC 2023
PRIMARY
PUBCHEM
108075
Created by admin on Thu Jul 06 02:46:12 UTC 2023 , Edited by admin on Thu Jul 06 02:46:12 UTC 2023
PRIMARY
EPA CompTox
DTXSID90970728
Created by admin on Thu Jul 06 02:46:12 UTC 2023 , Edited by admin on Thu Jul 06 02:46:12 UTC 2023
PRIMARY
CAS
55387-45-6
Created by admin on Thu Jul 06 02:46:12 UTC 2023 , Edited by admin on Thu Jul 06 02:46:12 UTC 2023
PRIMARY
CHEBI
72763
Created by admin on Thu Jul 06 02:46:12 UTC 2023 , Edited by admin on Thu Jul 06 02:46:12 UTC 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR
Related Record Type Details
PARENT -> METABOLITE
Tryptoquivaline is tremor-producing metabolite from Aspergillus clavatus.