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Compounds

COMPOUND NPA003187

STRUCTURE

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PROPERTIES

NPAID	NPA003187
CLUSTER ID	6
NODE ID	6
NAME	Hibarimicin B
FORMULA	C85H112O37
MOLECULAR WEIGHT (Da)	1725.7940
ACCURATE MASS (Da)	1724.6882
ORIGIN ORGANISM TYPE	Bacterium
ORIGIN GENUS	Microbispora
ORIGIN SPECIES	rosea (TP-A0121)
InChIKey	XGHSXRXEPCUHTN-MWHBNOOJSA-N
InChI	InChI=1S/C85H112O37/c1-14-22-82(104)78(120-45-18-16-43(30(3)110-45)116-47-20-24-80(102,34(7)86)36(9)114-47)68(98)71(118-49-28-41(88)60(90)32(5)112-49)40-27-38-26-39-52(62(92)51(38)76(100)84(40,82)105)63(93)56(74(109-13)70(39)107-11)55-64(94)53-54(67(97)73(55)108-12)65(95)57-58(66(53)96)77(101)85(106)59-72(57)122-83(85,23-15-2)79(69(99)75(59)119-50-29-42(89)61(91)33(6)113-50)121-46-19-17-44(31(4)111-46)117-48-21-25-81(103,35(8)87)37(10)115-48/h26,30-33,36-37,40-50,59-61,68-69,71-72,75,78-79,88-93,95-96,98-99,102-106H,14-25,27-29H2,1-13H3/t30-,31-,32+,33+,36-,37-,40?,41-,42-,43+,44+,45+,46+,47-,48-,49+,50?,59?,60+,61+,68?,69?,71?,72?,75?,78?,79?,80+,81+,82?,83?,84?,85?/m1/s1
SMILES	CCCC1(C(C(C(C2C1(C(=O)C3=C(C2)C=C4C(=C3O)C(=C(C(=C4OC)OC)C5=C(C(=O)C6=C(C5=O)C(=C7C(=C6O)C8C9C(C(C(C(C9(C7=O)O)(O8)CCC)O[C@H]1CC[C@@H]([C@H](O1)C)O[C@@H]1CC[C@@]([C@H](O1)C)(C(=O)C)O)O)OC1C[C@H]([C@H]([C@@H](O1)C)O)O)O)OC)O)O)O[C@H]1C[C@H]([C@H]([C@@H](O1)C)O)O)O)O[C@H]1CC[C@@H]([C@H](O1)C)O[C@@H]1CC[C@@]([C@H](O1)C)(C(=O)C)O)O

ORIGINAL ISOLATION REFERENCE

CITATION	Kajiura, Takayuki; Furumai, Tamotsu; Igarashi, Yasuhiro; Hori, Hiroshi; Higashi, Kazuaki; Ishiyama, Tadayuki; Uramoto, Masakazu; Uehara, Yoshimasa; Oki, Toshikazu Signal transduction inhibitors, hibarimicins A, B, C, D and G produced by Microbispora. I. Taxonomy, fermentation, isolation and physico-chemical and biological properties Journal of Antibiotics 1998 51 (4) 394-401.
DOI	10.7164/antibiotics.51.394	PMID	9630861

ORIGINAL ISOLATION TAXONOMY

RANK	NAME	DB LINK	NCBI
Domain	Bacteria	LPSN	2
Phylum	Actinobacteria	LPSN	201174
Class	Actinobacteria	LPSN	-
Order	Streptosporangiales	LPSN	85012
Family	Streptosporangiaceae	LPSN	2004
Genus	Microbispora	LPSN	2005

SYNTHESES

CITATION 1	Narayan S; Roush WR Studies toward the total synthesis of angelmicin B (hibarimicin B): synthesis of a model CD-D' arylnaphthoquinone. Organic Letters 2004 6 (21) 3789-92. DOI: 10.1021/ol048436x PMID: 15469350

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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