(1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (3R,4S,4aR)-
PubChem CID: 462159
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| Compound Synonyms | 220751-83-7, (1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (3R,4S,4aR)-, [1,3]Dioxolo[4,5-j]phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (3R,4S,4aR)-, SCHEMBL13804160, DTXSID90944702, (3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one, 2,3,4,4a-Tetrahydro-9H-[1,3]dioxolo[4,5-j]phenanthridine-2,3,4,6,7-pentol |
|---|---|
| Topological Polar Surface Area | 128.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 523.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3R,4S,4aR)-2,3,4,7-tetrahydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one |
| Nih Violation | False |
| Prediction Hob | 0.0 |
| Xlogp | -1.2 |
| Is Pains | False |
| Molecular Formula | C14H13NO7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LZAZURSABQIKGB-DKTZCLJJSA-N |
| Fcsp3 | 0.3571428571428571 |
| Rotatable Bond Count | 0.0 |
| Compound Name | (1,3)Dioxolo(4,5-j)phenanthridin-6(2H)-one, 3,4,4a,5-tetrahydro-2,3,4,7-tetrahydroxy-, (3R,4S,4aR)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 307.069 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 307.069 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 307.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.216017781818182 |
| Inchi | InChI=1S/C14H13NO7/c16-6-1-5-4-2-7-13(22-3-21-7)11(18)8(4)14(20)15-9(5)12(19)10(6)17/h1-2,6,9-10,12,16-19H,3H2,(H,15,20)/t6?,9-,10-,12+/m1/s1 |
| Smiles | C1OC2=C(O1)C(=C3C(=C2)C4=CC([C@H]([C@H]([C@@H]4NC3=O)O)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lycoris Radiata (Plant) Rel Props:Source_db:cmaup_ingredients