Drug Details
| General Information of the Drug (ID: DR2568) | ||||
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| Name |
Germacrone
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| Synonyms |
Germacrone; 6902-91-6; (3E,7E)-3,7-Dimethyl-10-(propan-2-ylidene)cyclodeca-3,7-dienone; Germacron; (3E,7E)-3,7-dimethyl-10-propan-2-ylidenecyclodeca-3,7-dien-1-one; Germacrone,(S); Germacrol (obsol;); Germacrone, analytical standard; SCHEMBL2551615; SCHEMBL14215872; CHEBI:80830; HY-N0440; MFCD00210050; s9311; ZINC31308583; AKOS016009673; CCG-266711; CS-0008961; G0519; N1500; V0249; (E,E)-Germacra-3,7(11),9-trien-6-one; C16966; 902G916; Q-100776; Q15410959; trans,trans-3,7-dimethyl-10-isopropylidene-3,7-cyclodecadien-1-one
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| Molecular Type |
Small molecule
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| Disease | Idiopathic pulmonary fibrosis [ICD-11: CB03] | Investigative | [1] | |
| Structure |
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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 |
C15H22O
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| PubChem CID | ||||
| Canonical SMILES |
CC1=CCC(=C(C)C)C(=O)CC(=CCC1)C
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| InChI |
1S/C15H22O/c1-11(2)14-9-8-12(3)6-5-7-13(4)10-15(14)16/h7-8H,5-6,9-10H2,1-4H3/b12-8+,13-7+
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| InChIKey |
CAULGCQHVOVVRN-SWZPTJTJSA-N
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| CAS Number |
CAS 6902-91-6
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| ChEBI ID | ||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug | ||||||
| Furanodiene | Curcuma longa | Click to Show/Hide the Molecular Data of This NP | ||||
| Achieving Therapeutic Synergy | Click to Show/Hide | |||||
| Representative Experiment Reporting the Effect of This Combination | [2] | |||||
| Detail(s) |
Combination Info
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| Molecule(s)
Regulation |
Up-regulation | Expression | BAX | Molecule Info |
Pathway MAP
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| In-vitro Model | MDA-MB-231 | CVCL_0062 | Breast adenocarcinoma | Homo sapiens | ||
| MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | |||
| Experimental
Result(s) |
Germacrone enhanced furanodiene's anti-proliferative effect. | |||||
| Furanodiene + Curdione | Click to Show/Hide the Molecular Data of This NP | |||||
| 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
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| Molecule(s)
Regulation |
Down-regulation | Expression | BCL-xL | Molecule Info |
Pathway MAP
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| In-vitro Model | MDA-MB-231 | CVCL_0062 | Breast adenocarcinoma | Homo sapiens | ||
| MCF-7 | CVCL_0031 | Invasive breast carcinoma | Homo sapiens | |||
| Experimental
Result(s) |
Germacrone enhanced furanodiene's anti-proliferative effect. | |||||
| Target and Pathway | ||||
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| Target(s) | Aromatase (CYP19A1) | Molecule Info | [3] | |
| BioCyc | Superpathway of steroid hormone biosynthesis | Click to Show/Hide | ||
| 2 | Estradiol biosynthesis II | |||
| 3 | Estradiol biosynthesis I | |||
| KEGG Pathway | Steroid hormone biosynthesis | Click to Show/Hide | ||
| 2 | Metabolic pathways | |||
| 3 | Ovarian steroidogenesis | |||
| NetPath Pathway | FSH Signaling Pathway | Click to Show/Hide | ||
| Panther Pathway | Androgen/estrogene/progesterone biosynthesis | Click to Show/Hide | ||
| Pathwhiz Pathway | Androgen and Estrogen Metabolism | Click to Show/Hide | ||
| Reactome | Endogenous sterols | Click to Show/Hide | ||
| WikiPathways | Metapathway biotransformation | Click to Show/Hide | ||
| 2 | Tryptophan metabolism | |||
| 3 | Oxidation by Cytochrome P450 | |||
| 4 | Ovarian Infertility Genes | |||
| 5 | Metabolism of steroid hormones and vitamin D | |||
| 6 | FSH signaling pathway | |||
| 7 | Integrated Breast Cancer Pathway | |||
| 8 | Phase 1 - Functionalization of compounds | |||
