Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C29H30O13 |
| Molecular Weight | 586.5407 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 8 / 8 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC[C@H]1O[C@@H](O[C@@H]2OC=C3[C@@H](CCOC3=O)[C@H]2C=C)[C@H](OC(=O)C4=C(C=C(O)C=C4O)C5=CC(O)=CC=C5)[C@@H](O)[C@@H]1O
InChI
InChIKey=DBOVHQOUSDWAPQ-WTONXPSSSA-N
InChI=1S/C29H30O13/c1-2-16-17-6-7-38-26(36)19(17)12-39-28(16)42-29-25(24(35)23(34)21(11-30)40-29)41-27(37)22-18(9-15(32)10-20(22)33)13-4-3-5-14(31)8-13/h2-5,8-10,12,16-17,21,23-25,28-35H,1,6-7,11H2/t16-,17+,21-,23-,24+,25-,28+,29+/m1/s1
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2439 Sources: https://www.ncbi.nlm.nih.gov/pubmed/22521634 |
|||
Target ID: CHEMBL613529 Sources: https://www.caymanchem.com/pdfs/24914.pdf |
12.4 µM [IC50] |
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2622
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21018-84-8
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m1641
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C102609
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DTXSID501029787
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AMAROGENTIN
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115149
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SUBSTANCE RECORD