Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00006435689	Gold	1
CCMSLIB00006435690	Gold	1
CCMSLIB00006435766	Gold	1
CCMSLIB00006435767	Gold	1
CCMSLIB00006435840	Gold	1
CCMSLIB00006435841	Gold	1
CCMSLIB00006435917	Gold	1
CCMSLIB00006435918	Gold	1
CCMSLIB00006435989	Gold	1
CCMSLIB00006435990	Gold	1
CCMSLIB00006499282	Gold	1
CCMSLIB00006499310	Gold	1
CCMSLIB00006499338	Gold	1
CCMSLIB00006499339	Gold	1
CCMSLIB00006499366	Gold	1
CCMSLIB00006499367	Gold	1
CCMSLIB00006499395	Gold	1
CCMSLIB00006499396	Gold	1
CCMSLIB00006499424	Gold	1
CCMSLIB00006499425	Gold	1
CCMSLIB00006499797	Gold	1
CCMSLIB00006499823	Gold	1
CCMSLIB00006499850	Gold	1
CCMSLIB00006499877	Gold	1
CCMSLIB00006499904	Gold	1
CCMSLIB00006499927	Gold	1
CCMSLIB00006499928	Gold	1
CCMSLIB00006500327	Gold	1
CCMSLIB00006500371	Gold	1
CCMSLIB00006500390	Gold	1
CCMSLIB00006500733	Gold	1
CCMSLIB00006500751	Gold	1
CCMSLIB00006500768	Gold	1
CCMSLIB00006500789	Gold	1
CCMSLIB00006500819	Gold	1
CCMSLIB00006501114	Gold	1
CCMSLIB00006501115	Gold	1
CCMSLIB00006501154	Gold	1
CCMSLIB00006501174	Gold	1
CCMSLIB00006501175	Gold	1
CCMSLIB00006501194	Gold	1
CCMSLIB00006501214	Gold	1
CCMSLIB00004685676	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004685677	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004685678	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004685679	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693401	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693402	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693403	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693404	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693405	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693406	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693407	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693408	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693409	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693410	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693411	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693412	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693413	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693414	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00004693415	Bronze	4-[2-[(1R,4aS,5R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
CCMSLIB00000850337	Gold	1

COMPOUND NPA018988

STRUCTURE

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA018988
CLUSTER ID	247
NODE ID	227
NAME	14-Deoxyandrographolide
FORMULA	C20H30O4
MOLECULAR WEIGHT (Da)	334.4560
ACCURATE MASS (Da)	334.2144
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Antrodia
ORIGIN SPECIES	camphorata
InChIKey	GVRNTWSGBWPJGS-YSDSKTICSA-N
InChI	InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1
SMILES	C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)(C)CO)O

ORIGINAL ISOLATION REFERENCE

CITATION	Balmain, Alan; Connolly, Joseph D Minor diterpenoid constituents of Andrographis paniculata Nees Journal of the Chemical Society, Perkin Transactions 1 1973 1247-1251.
DOI	10.1039/p19730001247	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Basidiomycota	MycoBank	5204
Class	Agaricomycetes	MycoBank	155619
Order	Polyporales	MycoBank	5303
Family	Fomitopsidaceae	MycoBank	1769247
Genus	Antrodia	MycoBank	40415

CLASSYFIRE

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DESCRIPTION	[[ getValue('description') ]]
KINGDOM	[[ getValue('kingdom') ]]
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 NPA018988

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

CLASSYFIRE

NP CLASSIFIER