Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C37H56O10 |
Molecular Weight | 660.8345 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 18 / 18 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12C[C@@]3(C)[C@]4([H])CC[C@]5([H])[C@]6(C[C@@]46C[C@@H](OC(C)=O)[C@]3(C)[C@@]1([H])[C@H](C)C[C@]7(OC[C@@]8(C)O[C@@H]78)O2)CC[C@H](O[C@]9([H])OC[C@@H](O)[C@H](O)[C@H]9O)C5(C)C
InChI
InChIKey=GCMGJWLOGKSUGX-RBKCHLQLSA-N
InChI=1S/C37H56O10/c1-18-12-37(30-33(6,47-30)17-43-37)46-21-13-32(5)23-9-8-22-31(3,4)24(45-29-28(41)27(40)20(39)15-42-29)10-11-35(22)16-36(23,35)14-25(44-19(2)38)34(32,7)26(18)21/h18,20-30,39-41H,8-17H2,1-7H3/t18-,20-,21+,22+,23+,24+,25-,26+,27+,28-,29+,30-,32+,33-,34-,35-,36+,37+/m1/s1
Molecular Formula | C37H56O10 |
Molecular Weight | 660.8345 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 17 / 18 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/27483235
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27483235
26-deoxyactein are tetracyclic triterpenoids compound isolated from rhizome of the cimicifuga herbs with a wide range of biological activities including antitumor activity, which is associated with cell cycle arrest and angiogenesis inhibition.
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: GO:0007050 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27483235 |
|||
Target ID: GO:0001525 Sources: https://www.ncbi.nlm.nih.gov/pubmed/27483235 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Primary | Unknown Approved UseUnknown |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27483235
xenograft mice: 26-deoxyactein groups (10, 30 mg/kg) (6 animals in each group). The mice in the group received treatment for successively 6 days and withdrawal for one day, and this whole experiment lasted for 23 days.
Route of Administration:
Oral
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/27483235
The cell proportions (HL-60 Cells) in the G1 phase were respectively 42.91%, 44.37%, and 49.14% after treatment with 26-deoxyactein (6.25–25 μg/mL) for 48 h. The cell number in the G1 phase increased gradually along with the increases in the concentrations of this compound. The cell proportions in the G2/M and S phases were significantly reduced after 26-deoxyactein treatment. In addition, 26-deoxyactein inhibited the growth of the 12 human tumor cell lines (HL-60 (human promyelocytic leukemia cell line), U937 (human histiocytic lymphoma cell line), Raji (human Burkitt's lymphoma cell line), K562 (human chronic myelogenous leukemia cell line), A549 and AGZY (human lung adenocarcinoma cell lines), Hep2 (human laryngocarcinoma cell line), Bcap37 (human breast cancer cell line), A431 (human Basal cell carcinoma cell line), EJ (human bladder cancer cell line), HepG-2 (human hepatic carcinoma cell line), SKOV3 (human ovarian cancer cell line), and S180 (mouse sarcoma cell line)) tested in concentration-dependent manners (6.25-100 μg/mL). With the increases in the concentrations of compound, cell proliferation inhibition rates were higher and high.
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 22:05:52 GMT 2023
by
admin
on
Fri Dec 15 22:05:52 GMT 2023
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Record UNII |
2D5AUV13AX
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Record Status |
Validated (UNII)
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Record Version |
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PARENT -> CONSTITUENT ALWAYS PRESENT |