Dihydroqinghaosu
PubChem CID: 456410
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| Compound Synonyms | Dihydroartemisinin, Artenimol, Dihydroqinghaosu, 71939-50-9, Cotecxin, Dynamax, Salaxin, Santecxin, Alaxin, Dihydroartemisinine, Artemisinin, dihydro, beta-Dihydroartemisinin, DHQHS 2, UNII-6A9O50735X, CHEMBL307261, Dihydroquinghoasu, Artenimol (USAN/INN), Dihydroartemisinin + Proveblue, SCHEMBL2132158, JAV-110, BJDCWCLMFKKGEE-KXTPALSWSA-N, 3,12-Epoxy-12H-pyrano(4,3-j)-1,2-benzodioxepin-10-ol, decahydro-3,6,9-trimethyl-, (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12beta,12aR*))-, BDBM50578409, VM3352, AKOS015962875, AKOS026749923, AC-2067, PD087060, D3793, D07362, EN300-27122030, (4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.0?,.0?,]hexadecan-10-ol, [3R-(3.alpha.,5a.beta.,6.beta.,8a.beta.,9.alpha.,10.alpha.,12.beta.,12aR*)]-Decahydro-10-hydroxy-3,6,9-trimethyl-3,12-epoxy-12H-pyrano[4.3-j]-1,2-benzodioxepin |
|---|---|
| Topological Polar Surface Area | 57.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 415.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (4S,5R,8S,9R,10S,12R,13R)-1,5,9-trimethyl-11,14,15,16-tetraoxatetracyclo[10.3.1.04,13.08,13]hexadecan-10-ol |
| Prediction Hob | 1.0 |
| Class | Prenol lipids |
| Xlogp | 2.5 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Sesquiterpenoids |
| Molecular Formula | C15H24O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | BJDCWCLMFKKGEE-KXTPALSWSA-N |
| Fcsp3 | 1.0 |
| Logs | -4.069 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.967 |
| Synonyms | a-Dihydroartemisinin, Α-dihydroartemisinin, Dihydroquinghaosu, (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10alpha,12alpha,12ar*))-isomer, Dihydroquinghaosu, (3R-(3alpha,5abeta,6beta,8abeta,9alpha,10beta,12alpha,12ar*))-isomer, Dihydroartemisinine, Dihydroqinghaosu, Dihydroquinghaosu, Dihydroartemisinin, 3alpha-Hydroxydeoxydihydroartemisinin, 9alpha-Hydroxydeoxyartemisinin, 8alpha-Hydroxydeoxyartemisinin |
| Compound Name | Dihydroqinghaosu |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -3.4866824000000003 |
| Inchi | InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14?,15-/m1/s1 |
| Smiles | C[C@@H]1CC[C@H]2[C@H]([C@H](O[C@H]3[C@@]24[C@H]1CCC(O3)(OO4)C)O)C |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Artemisinins |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients