Natural Product (NP) Details
General Information of the NP (ID: NP4401) | |||||
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Name |
Brusatol
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Synonyms |
Brusatol; 14907-98-3; Yatansin; (+)-Brusatol; CHEBI:3197; CHEMBL459546; (11beta,12alpha,15beta)-13,20-Epoxy-3,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxopicras-3-en-21-oic acid, methyl ester; NSC 172924; BRN 1444847; (1R,2S,3S,3aS,3a1R,4R,6aR,7aR,11aS,11bR)-Methyl 1,2,9-trihydroxy-8,11a-dimethyl-4-((3-methylbut-2-enoyl)oxy)-5,10-dioxo-2,3,3a,4,5,6a,7,7a,10,11,11a,11b-dodecahydro-1H-3,3a1-(epoxymethano)dibenzo[de,g]chromene-3-carboxylate; Methyl 13,20-epoxy-3,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxopicras-3-en-21-oate (11beta,12alpha,15beta)-; SCHEMBL1276480; Brusatol, >=95% (HPLC); DTXSID70164163; QCR-223; BCP15272; BDBM50535743; MFCD01746220; ZINC30726694; AKOS016013415; CS-W019658; 2H-3,11c-beta-(Epoxymethano)phenanthro(10,1-bc)pyran-3-alpha(3a-beta-H)-carboxylic acid, 1,4,5,6a-beta,7,7a-alpha,10,11,11a,11b-alpha-decahydro-8,11a-beta-dimethyl-5,10-dioxo-1-beta,2-alpha,4-beta,9-tetrahydroxy-, methyl ester, 4-(3-methylcrotonate); AS-55977; HY-19543; Picras-3-en-21-oic acid, 13,20-epoxy-3,11,12-trihydroxy-15-((3-methyl-1-oxo-2-butenyl)oxy)-2,16-dioxo-, methyl ester, (11beta,12alpha,15beta)-; C08754; Q27105985; methyl trihydroxy-dimethyl-(3-methylbut-2-enoyloxy)-dioxo-[?]carboxylate; Picras-3-en-21-oicacid,13,20-epoxy-3,11,12-trihydroxy-15-[(3-methyl-1-oxo-2-buten-1-yl)oxy]-2,16-dioxo-,methyl ester, (11b,12a,15b)-
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Species Origin | Brucea javanica ... | Click to Show/Hide | |||
Brucea javanica | |||||
Disease | Nasopharyngeal cancer [ICD-11: 2B6B] | Investigative | [1] | ||
Structure |
Click to Download Mol2D MOL |
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Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
Formula |
C26H32O11
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PubChem CID | |||||
Canonical SMILES |
CC1=C(C(=O)CC2(C1CC3C45C2C(C(C(C4C(C(=O)O3)OC(=O)C=C(C)C)(OC5)C(=O)OC)O)O)C)O
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InChI |
1S/C26H32O11/c1-10(2)6-15(28)37-18-20-25-9-35-26(20,23(33)34-5)21(31)17(30)19(25)24(4)8-13(27)16(29)11(3)12(24)7-14(25)36-22(18)32/h6,12,14,17-21,29-31H,7-9H2,1-5H3/t12-,14+,17+,18+,19+,20+,21-,24-,25+,26-/m0/s1
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InChIKey |
ZZZYHIMVKOHVIH-VILODJCFSA-N
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CAS Number |
CAS 14907-98-3
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Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP | ||||||
Cisplatin | Bladder cancer | Click to Show/Hide the Molecular Data of This Drug | ||||
Achieving Therapeutic Synergy | 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 | |||||
Molecule(s)
Regulation |
Up-regulation | Expression | BAX | Molecule Info |
Pathway MAP
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In-vitro Model | CT26 | CVCL_7254 | Mouse colon adenocarcinoma | Mus musculus | ||
Experimental
Result(s) |
The combination of CDDP and BR was able to produce a synergistic antitumor effect in CRC cells, thus providing a solid foundation for further development of this combination regimen into an effective therapeutic method for CRC. |
Target and Pathway | ||||
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Target(s) | Kelch-like ECH-associated protein 1 (KEAP1) | Molecule Info | [3] | |
Maleylacetoacetate isomerase (EIF5AL1) | Molecule Info | [4] | ||
Nuclear factor erythroid 2-related factor 2 (Nrf2) | Molecule Info | [5] | ||
Sequestosome-1 p62 (SQSTM1) | Molecule Info | [6] | ||
KEGG Pathway | Osteoclast differentiation | Click to Show/Hide | ||
2 | Protein processing in endoplasmic reticulum | |||
NetPath Pathway | EGFR1 Signaling Pathway | Click to Show/Hide | ||
2 | IL5 Signaling Pathway | |||
Pathway Interaction Database | IL1-mediated signaling events | Click to Show/Hide | ||
2 | TNF receptor signaling pathway | |||
3 | p75(NTR)-mediated signaling | |||
4 | Neurotrophic factor-mediated Trk receptor signaling | |||
Reactome | NRIF signals cell death from the nucleus | Click to Show/Hide | ||
2 | p75NTR recruits signalling complexes | |||
3 | NF-kB is activated and signals survival | |||
4 | Interleukin-1 signaling | |||
WikiPathways | Senescence and Autophagy in Cancer | Click to Show/Hide | ||
2 | NRF2 pathway | |||
3 | Nuclear Receptors Meta-Pathway | |||
4 | Apoptosis-related network due to altered Notch3 in ovarian cancer | |||
5 | BDNF signaling pathway | |||
6 | RANKL/RANK Signaling Pathway | |||
7 | Signalling by NGF | |||
8 | IL-1 signaling pathway | |||
9 | Interleukin-1 signaling | |||
10 | Regulation of toll-like receptor signaling pathway | |||
11 | Oxidative Stress | |||
12 | Transcriptional activation by NRF2 | |||
13 | Aryl Hydrocarbon Receptor Pathway | |||
14 | Mesodermal Commitment Pathway | |||
15 | Aryl Hydrocarbon Receptor | |||
16 | Quercetin and Nf-kB/ AP-1 Induced Cell Apoptosis | |||
17 | Arylhydrocarbon receptor (AhR) signaling pathway |