Natural Products Atlas

Compounds

ID	Spectrum Quality	Annotated Name
CCMSLIB00004689028	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004689029	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004689030	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713168	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713169	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713170	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713171	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713172	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713173	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713174	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713175	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713176	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713177	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713178	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713179	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713180	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713181	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004713182	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00004689027	Bronze	(4R,6S,8S,9Z,11E)-16-chloro-17,19-dihydroxy-4-methyl-3,7-dioxatricyclo[13.4.0.0?,?]nonadeca-1(15),9,11,16,18-pentaene-2,13-dione
CCMSLIB00010109882	Gold	3
CCMSLIB00010109883	Gold	3
CCMSLIB00010109884	Gold	3
CCMSLIB00010109885	Gold	3
CCMSLIB00010121222	Gold	3
CCMSLIB00010121223	Gold	3
CCMSLIB00010121224	Gold	3
CCMSLIB00010121225	Gold	3
CCMSLIB00000852597	Gold	1!CCMSLIB00000850355

COMPOUND NPA003487

STRUCTURE

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

EXTERNAL LINKS

PROPERTIES

NPAID	NPA003487
CLUSTER ID	22
NODE ID	21
NAME	Radicicol
FORMULA	C18H17ClO6
MOLECULAR WEIGHT (Da)	364.7810
ACCURATE MASS (Da)	364.0714
ORIGIN ORGANISM TYPE	Fungus
ORIGIN GENUS	Nectria
ORIGIN SPECIES	radicicola
InChIKey	WYZWZEOGROVVHK-GQDSKAKWSA-N
InChI	InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9?,14-,15-/m1/s1
SMILES	CC1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)CC2=C(C(=O)O1)C(O)=CC(O)=C2Cl

ORIGINAL ISOLATION REFERENCE

CITATION	Mirrington, RN; Ritchie, E; Shoppee, CW; Taylor, WC; Sternhell, S The constitution of radicicol Tetrahedron Letters 1964 5 (7) 365-370.
DOI	10.1016/0040-4039(64)80029-0	PMID	-

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Eukarya	-	2759
Kingdom	Fungi	MycoBank	4751
Phylum	Ascomycota	MycoBank	4890
Class	Sordariomycetes	MycoBank	147550
Order	Hypocreales	MycoBank	5125
Family	Nectriaceae	MycoBank	110618
Genus	Nectria	MycoBank	5133

REVISIONS

VERSION	SMILES	CITATION
Original Isolation	CC1CC2C(O2)C=CC=CC(=O)CC3=C(C(=CC(=C3Cl)O)O)C(=O)O1	Mirrington, RN; Ritchie, E; Shoppee, CW; Taylor, WC; Sternhell, S The constitution of radicicol Tetrahedron Letters 1964 5 (7) 365-370. DOI: 10.1016/0040-4039(64)80029-0
2	CC1C[C@H]2O[C@@H]2/C=C\C=C\C(=O)CC2=C(C(=O)O1)C(O)=CC(O)=C2Cl	Day, James E H; Sharp, Swee Y; Rowlands, Martin G; Aherne, Wynne; Lewis, William; Roe, S Mark; Prodromou, Chrisostomos; Pearl, Laurence H; Workman, Paul; Moody, Christopher J Inhibition of Hsp90 with resorcylic acid macrolactones: synthesis and binding studies. Chemistry - A European Journal 2010 16 (34) 10366-72. DOI: 10.1002/chem.201001119 PMID: 20661961

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') ]]
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Compounds

COMPOUND NPA003487

STRUCTURE

PROPERTIES

ORIGINAL ISOLATION REFERENCE

ORIGINAL ISOLATION TAXONOMY

REVISIONS

CLASSYFIRE

NP CLASSIFIER