Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00000478450	Silver	Benzomalvin&C_120256
CCMSLIB00004688221	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004688222	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708275	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708276	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708277	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708278	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708279	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708280	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708281	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708282	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708283	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708284	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708285	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708286	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708287	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708288	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00004708289	Bronze	(2S,3S)-6'-methyl-3-phenylspiro[oxirane-2,7'-quinazolino[3,2-a][1,4]benzodiazepine]-5',13'-dione
CCMSLIB00000851763	Gold	1
CCMSLIB00012129617	Gold	4
CCMSLIB00009969414	Gold	4

COMPOUND NPA011876

STRUCTURE

EXPORT OPTIONS	PNG JSON SDF
PROJECT MOLECULE TO GLOBAL VIEW	See Global

EXTERNAL LINKS

PROPERTIES

NPAID	NPA011876
CLUSTER ID	4534
NODE ID	11
NAME	Benzomalvin C
FORMULA	C24H17N3O3
MOLECULAR WEIGHT (Da)	395.4180
ACCURATE MASS (Da)	395.1270
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Penicillium
ORIGIN SPECIES	sp.
InChIKey	TWDKBDSVUUKABK-GBXCKJPGSA-N
InChI	InChI=1S/C24H17N3O3/c1-26-21(28)17-12-6-8-14-19(17)27-22(29)16-11-5-7-13-18(16)25-23(27)24(26)20(30-24)15-9-3-2-4-10-15/h2-14,20H,1H3/t20-,24+/m0/s1
SMILES	CN1C(=O)C2=CC=CC=C2N3C(=O)C4=CC=CC=C4N=C3[C@]15[C@@H](O5)C6=CC=CC=C6

ORIGINAL ISOLATION REFERENCE

CITATION	Sun; Barrow; Sedlock; Gillum; Cooper Benzomalvins, new substance P inhibitors from a Penicillium sp Journal of Antibiotics 1994 47 (5) 515-522.
DOI	10.7164/antibiotics.47.515	PMID	7518818

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Eurotiomycetes	MycoBank	147545
Order	Eurotiales	MycoBank	5042
Family	Aspergillaceae	MycoBank	1131492
Genus	Penicillium	MycoBank	5073

CLASSYFIRE

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SUPER CLASS	[[ getValue('superclass') ]]
CLASS	[[ getValue('class') ]]
SUB CLASS	[[ getValue('subclass') ]]
MOLECULAR FRAMEWORK	[[ getValue('molecular_framework') ]]

NP CLASSIFIER

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SUPER CLASS	[[ getValue('superclass_results') ]]
CLASS	[[ getValue('class_results') ]]
PATHWAY	[[ getValue('pathway_results') ]]
IS GLYCOSIDE?	[[ getValue('isglycoside') ]]

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Compounds

COMPOUND NPA011876

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER