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Natural Product (NP) Details

General Information of the NP (ID: NP3787)
Name
Vancomycin
Synonyms
VANCOMYCIN; Vancocin; Vancoled; 1404-90-6; Vancomycinum; Vancomicina; Vancomycine; VANCOR; Vancomycin HCL; UNII-6Q205EH1VU; 6Q205EH1VU; CHEMBL262777; CHEBI:28001; Vancomycin (USP); Vancomycine [INN-French]; Vancomycinum [INN-Latin]; Vancomicina [INN-Spanish]; HSDB 3262; EINECS 215-772-6; vancomicin; vanomycin; Vancomycin [USP:INN:BAN]; Vancomycin hydrochloride from Streptomyces orientalis; Viomycin derivative; [(2S,3R,4S,5S,6R)-3-[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-(2-amino-2-oxo-ethyl)-dichloro-pentahydroxy-[[(2R)-4-methyl-2-(methylamino)pentanoyl]amino]-pentaoxo-[?]carboxylic acid; Glycopeptide Antibiotic; C06689; D00212; Tuberactinomycin Analogue; Prestwick0_000497; Prestwick1_000497; Prestwick2_000497; Mannopeptimycin Glycopeptide; SCHEMBL3177; Chloroorienticin B derivative; Lopac0_001267; N-demethylvancomycin derivative; SPBio_002314; Poly ethylene glycol derivative; CHEMBL3735877; DTXSID0042664; GTPL10932; ACT02696; HY-B0671; Mannopeptimycin glycopeptide analogue; BDBM50335519; s5784; AKOS030526092; CCG-205340; CS-3242; DB00512; SDCCGSBI-0051233.P002; NCGC00162383-04; NCGC00162383-11; 6465-EP1441224A2; 6465-EP2277898A2; 6465-EP2295402A2; 6465-EP2298762A2; 6465-EP2305657A2; 6465-EP2305662A1; 6465-EP2308479A2; 4-Naphthalen-2-ylmethyl-4,5-dihydro-1H-imidazole; 404V906; Q424027; SR-01000076194-5; BRD-K91065602-003-05-5; (2.2Sp,3.5Sa,2.6Sp)-O4.2,C3.4:C5.4,O4.6:C3.5,C2.7-tricyclo[N-methyl-D-leucyl-3-chloro-(R)-beta-hydroxy-D-tyrosyl-L-asparaginyl-D-2-(4-{[2-O-(3-amino-2,3,6-trideoxy-3-C-methyl-alpha-L-lyxo-hexopyranosyl)-beta-D-glucopyranosyl]oxy}phenyl)glycyl-D-2-(4-hydroxyphenyl)glycyl-3-chloro-(R)-beta-hydroxy-L-tyrosyl-L-2-(3,5-dihydroxyphenyl)glycine]; (S)-3,6-Diamino-hexanoic acid {(3S,9S,12S,15S)-3-((S)-6-hydroxy-2-imino-hexahydro-pyrimidin-4-yl)-9,12-bis-hydroxymethyl-2,5,8,11,14-pentaoxo-6-[1-ureido-meth-(Z)-ylidene]-1,4,7,10,13pentaaza-cyclohexadec-15-yl}-amide
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Species Origin Amycolatopsis orientalis ...     Click to Show/Hide
Amycolatopsis orientalis
SuperKingdom: Bacteria
Phylum: Actinobacteria
Class: Actinomycetia
Order: Pseudonocardiales
Family: Pseudonocardiaceae
Genus: Amycolatopsis
Species: Amycolatopsis orientalis
Disease Bacterial infection [ICD-11: 1A00-1C4Z] Approved [1]
Structure
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2D MOL

3D MOL

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Formula
C66H75Cl2N9O24
PubChem CID
14969
Canonical SMILES
CC1C(C(CC(O1)OC2C(C(C(OC2OC3=C4C=C5C=C3OC6=C(C=C(C=C6)C(C(C(=O)NC(C(=O)NC5C(=O)NC7C8=CC(=C(C=C8)O)C9=C(C=C(C=C9O)O)C(NC(=O)C(C(C1=CC(=C(O4)C=C1)Cl)O)NC7=O)C(=O)O)CC(=O)N)NC(=O)C(CC(C)C)NC)O)Cl)CO)O)O)(C)N)O
InChI
1S/C66H75Cl2N9O24/c1-23(2)12-34(71-5)58(88)76-49-51(83)26-7-10-38(32(67)14-26)97-40-16-28-17-41(55(40)101-65-56(54(86)53(85)42(22-78)99-65)100-44-21-66(4,70)57(87)24(3)96-44)98-39-11-8-27(15-33(39)68)52(84)50-63(93)75-48(64(94)95)31-18-29(79)19-37(81)45(31)30-13-25(6-9-36(30)80)46(60(90)77-50)74-61(91)47(28)73-59(89)35(20-43(69)82)72-62(49)92/h6-11,13-19,23-24,34-35,42,44,46-54,56-57,65,71,78-81,83-87H,12,20-22,70H2,1-5H3,(H2,69,82)(H,72,92)(H,73,89)(H,74,91)(H,75,93)(H,76,88)(H,77,90)(H,94,95)/t24-,34+,35-,42+,44-,46+,47+,48-,49+,50-,51+,52+,53+,54-,56+,57+,65-,66-/m0/s1
InChIKey
MYPYJXKWCTUITO-LYRMYLQWSA-N
CAS Number
CAS 1404-90-6
ChEBI ID
CHEBI:28001
TTD Drug ID
D0B1IV
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP
          Cisplatin      Bladder cancer     Click to Show/Hide the Molecular Data of This Drug
                 Decreasing Adverse Drug Reaction     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Biological
                    Regulation
Reduction Cisplatin-induced lipid peroxidation
                    In-vivo Model Healthy adult male albino rats (8-10 weeks old; weighing 120-180 g) of Wistar strain were used in this study.
                    Experimental
                    Result(s)
Vanillic acid is a potential antioxidant that reduce cisplatin nephrotoxicity and can be as a combinatorial regimen in cancer chemotherapy.
References
Reference 1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
Reference 2 Nephroprotective effect of vanillic acid against cisplatin induced nephrotoxicity in wistar rats: a biochemical and molecular study. Environ Toxicol Pharmacol. 2015 Jan;39(1):392-404.
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Correspondence

X. N. Sun, Y. T. Zhang, Y. Zhou, X. C. Lian, L. L. Yan, T. Pan, T. Jin, H. Xie, Z. M. Liang, W. Q. Qiu, J. X. Wang, Z. R. Li, F. Zhu*, X. B. Sui*. NPCDR: natural product-based drug combination and its disease-specific molecular regulation. Nucleic Acids Research. 50(D1): 1324-1333 (2020). PMID: 34664659

Prof. Feng ZHU  (zhufeng@zju.edu.cn)

College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, China


Prof. Xinbing SUI  (hzzju@hznu.edu.cn)

School of Pharmacy and Department of Medical Oncology, the Affiliated Hospital of Hangzhou Normal University, Hangzhou Normal University, Hangzhou, China