Natural Product (NP) Details
| General Information of the NP (ID: NP7528) | |||||
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| Name |
3-O-acetylbetulin
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| Synonyms |
3-O-Acetylbetulin; Betulin 3-acetate; Betulin monoacetate; SCHEMBL214200; CHEMBL1087415; ZINC33829848; [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate; 27570-20-3; (5S,17S,1R,2R,8R,14R)-5-(Hydroxymethyl)-1,2,14,18,18-pentamethyl-8-(1-methylvinyl)pentacyclo[11.8.0.0<2,10>.0<5,9>.0<14,19>]henicos-17-yl acetate; [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-1-isopropenyl-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] acetate
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| Species Origin | Homo sapiens ... | Click to Show/Hide | |||
| Homo sapiens | |||||
| Disease | Breast cancer [ICD-11: 2C60] | Investigative | [1] | ||
| Structure |
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C32H52O3
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| PubChem CID | |||||
| Canonical SMILES |
CC(=C)C1CCC2(C1C3CCC4C5(CCC(C(C5CCC4(C3(CC2)C)C)(C)C)OC(=O)C)C)CO
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| InChI |
1S/C32H52O3/c1-20(2)22-11-16-32(19-33)18-17-30(7)23(27(22)32)9-10-25-29(6)14-13-26(35-21(3)34)28(4,5)24(29)12-15-31(25,30)8/h22-27,33H,1,9-19H2,2-8H3/t22-,23+,24-,25+,26-,27+,29-,30+,31+,32+/m0/s1
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| InChIKey |
XUDTWJGGQFHXCR-VFUWXHBOSA-N
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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 | ||||||
| Octyl disulfamate | Breast 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 | [1] | |||||
| Detail(s) |
Combination Info
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| Biological
Regulation |
Enhancement | DNA damage | ||||
| Enhancement | Radiosensitivity | |||||
| In-vitro Model | MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | ||
| MDA-231 | Breast cancer | Homo sapiens | ||||
| Experimental
Result(s) |
The combined treatment with 3-AC and CAI strongly enhanced radiosensitivity, increased cytotoxicity, inhibited cell motility and enhanced DNA damage. | |||||
| SLC-0111 | Solid tumour/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 | [1] | |||||
| Detail(s) |
Combination Info
click to show the detail info of this combination
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| Biological
Regulation |
Enhancement | DNA damage | ||||
| Enhancement | Radiosensitivity | |||||
| In-vitro Model | MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | ||
| MDA-231 | Breast cancer | Homo sapiens | ||||
| Experimental
Result(s) |
The combined treatment with 3-AC and CAI strongly enhanced radiosensitivity, increased cytotoxicity, inhibited cell motility and enhanced DNA damage. | |||||
| References | ||||
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| Reference 1 | Combined 3-O-acetylbetulin treatment and carbonic anhydrase IX inhibition results in additive effects on human breast cancer cells. Chem Biol Interact. 2021 Jan 5;333:109326. | |||
