Natural Product (NP) Details
| General Information of the NP (ID: NP4998) | |||||
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| Name |
Acovenoside A
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| Synonyms |
Acovenoside A; CHEBI:71022; 663-95-6; 3beta-(6-deoxy-3-O-methyl-alpha-L-talopyranosyloxy)-1beta,14-dihydroxy-5beta-card-20(22)-enolide; SCHEMBL1152589; CHEMBL3391850; ZINC87530439; Q27139260
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| Species Origin | Acokanthera oppositifolia ... | Click to Show/Hide | |||
| Acokanthera oppositifolia | |||||
| Disease | Lung cancer [ICD-11: 2C25] | Investigative | [1] | ||
| Structure |
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Click to Download Mol2D MOL |
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| ADMET Property |
Absporption
Caco-2 Permeability
-5.78
MDCK Permeability
-5.195
PAMPA
+++
HIA
-
Distribution
VDss
-0.157
PPB
86.4%
BBB
- -
Metabolism
CYP1A2 inhibitor
- - -
CYP1A2 substrate
- -
CYP2C19 inhibitor
- - -
CYP2C19 substrate
- -
CYP2C9 inhibitor
- - -
CYP2C9 substrate
- - -
CYP2D6 inhibitor
- - -
CYP2D6 substrate
- - -
CYP3A4 inhibitor
- - -
CYP3A4 substrate
+++
CYP2B6 inhibitor
+++
CYP2B6 substrate
- - -
CYP2C8 inhibitor
- -
HLM Stability
- - -
Excretion
CLplasma
1.987
T1/2
3.348
Toxicity
DILI
++
Rat Oral Acute Toxicity
+++
FDAMDD
+++
Respiratory
+++
Human Hepatotoxicity
++
Ototoxicity
++
Drug-induced Nephrotoxicity
+++
Drug-induced Neurotoxicity
- - -
Hematotoxicity
+
Genotoxicity
+++
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++).
2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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| Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product | |||||
| Formula |
C30H46O9
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| PubChem CID | |||||
| Canonical SMILES |
CC1C(C(C(C(O1)OC2CC3CCC4C(C3(C(C2)O)C)CCC5(C4(CCC5C6=CC(=O)OC6)O)C)O)OC)O
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| InChI |
1S/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-12-17-5-6-21-20(29(17,3)22(31)13-18)7-9-28(2)19(8-10-30(21,28)35)16-11-23(32)37-14-16/h11,15,17-22,24-27,31,33-35H,5-10,12-14H2,1-4H3/t15-,17+,18+,19+,20-,21+,22+,24+,25+,26+,27-,28+,29-,30-/m0/s1
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| InChIKey |
DKYDBQQIQAPGMH-XGOVAQEESA-N
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| CAS Number |
CAS 663-95-6
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| ChEBI ID | |||||
| Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally | ||||||
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| α. A List of Drug(s) Whose Adverse Effect can be Decreased by This NP | ||||||
| Doxorubicin | Solid tumour/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
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| Molecule(s)
Regulation |
Down-regulation | Expression | CKM | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | CRP | Molecule Info | |||
| Down-regulation | Expression | GPT | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL19 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | IL6 | Molecule Info |
Pathway MAP
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| Down-regulation | Activity | IRF3 | Molecule Info |
Pathway MAP
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| Down-regulation | Activity | IRF7 | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | LDHA | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | p105 | Molecule Info |
Pathway MAP
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| Down-regulation | Phosphorylation | RELA | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | TNF | Molecule Info |
Pathway MAP
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| Down-regulation | Expression | TNNT2 | Molecule Info |
Pathway MAP
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| Biological
Regulation |
Up-regulation | GSH level | ||||
| Down-regulation | Nitric oxide level | |||||
| Up-regulation | Total antioxidant capacity | |||||
| In-vivo Model | Male Swiss albino mice weighing 25 +/- 5 g were used in this study. | |||||
| Experimental
Result(s) |
Adjuvant administration of AcoA with doxorubicin could provide a new treatment strategy for the rescue of jeopardized myocardium from doxorubicin-induced cardiomyopathy. | |||||
