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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

CC(C)[C@H](OC(C)=O)C1=NC2=CC=CC=C2C(=O)N1[C@@H]3C[C@@]4(OC3=O)[C@@H]5N(O)C(C)(C)C(=O)N5C6=C4C=CC=C6

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
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Breast cancer resistance protein (Bcrp1/Abcg2) limits net intestinal uptake of quercetin in rats by facilitating apical efflux of glucuronides.
2005 Jun
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
Substance Class Chemical
Created
by admin
on Tue Oct 22 19:34:03 UTC 2019
Edited
by admin
on Tue Oct 22 19:34:03 UTC 2019
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
PUBCHEM
108075
Created by admin on Tue Oct 22 19:34:04 UTC 2019 , Edited by admin on Tue Oct 22 19:34:04 UTC 2019
PRIMARY
CAS
55387-45-6
Created by admin on Tue Oct 22 19:34:04 UTC 2019 , Edited by admin on Tue Oct 22 19:34:04 UTC 2019
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR