NORTRYPTOQUIVALONE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H24N4O6
Molecular Weight	488.492
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@@]12N(O)[C@@H](C)C(=O)N1C3=C(C=CC=C3)[C@@]24C[C@@H](N5C(=O)C6=C(C=CC=C6)N=C5C(=O)C(C)C)C(=O)O4

InChI

InChIKey=KKKXNFWTLBZDAQ-RDUQTRIHSA-N

InChI=1S/C26H24N4O6/c1-13(2)20(31)21-27-17-10-6-4-8-15(17)23(33)28(21)19-12-26(36-24(19)34)16-9-5-7-11-18(16)29-22(32)14(3)30(35)25(26)29/h4-11,13-14,19,25,35H,12H2,1-3H3/t14-,19+,25-,26-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H24N4O6
Molecular Weight	488.492
Charge	0
Count

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

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 11:50:58 UTC 2023` Edited by `admin` on `Sat Dec 16 11:50:58 UTC 2023`
Record UNII	3QAI9CTO3Q
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

NORTRYPTOQUIVALONE

Common Name

English

TRYPTOQUIVALONE

Common Name

English

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

Systematic Name

English

TRYPTOQUIVALINE B

Common Name

English

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

Systematic Name

English

Code System Code Type Description

CAS

55387-46-7

Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023

PRIMARY

EPA CompTox

DTXSID50970729

Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023

PRIMARY

PUBCHEM

101042999

Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023

PRIMARY

FDA UNII

3QAI9CTO3Q

Created by admin on Sat Dec 16 11:50:58 UTC 2023 , Edited by admin on Sat Dec 16 11:50:58 UTC 2023

PRIMARY

Related Record Type Details


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ASPERGILLUS CLAVATUS

PARENT -> METABOLITE

Comments:

Tryptoquivalone is tremor-producing metabolite from Aspergillus clavatus.

Amount: