4,11-Dihydroxy-12-(11-hydroxy-10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-12-yl)-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-10-one
PubChem CID: 136908889
Connections displayed (default: 10).
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| Topological Polar Surface Area | 146.0 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 39.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1150.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,11-dihydroxy-12-(11-hydroxy-10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-12-yl)-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-10-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.8 |
| Molecular Formula | C30H14N4O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FNJFKZRQGGFNPC-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -7.008 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.074 |
| Compound Name | 4,11-Dihydroxy-12-(11-hydroxy-10-oxo-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,8,11,13(17),14-octaen-12-yl)-8,16-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,8,11,13(17),14-octaen-10-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 510.096 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 510.096 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 510.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.838965051282053 |
| Inchi | InChI=1S/C30H14N4O5/c35-12-5-6-18-16(11-12)24-22-15(8-10-32-24)20(28(37)30(39)26(22)34-18)19-14-7-9-31-23-13-3-1-2-4-17(13)33-25(21(14)23)29(38)27(19)36/h1-11,35-37H |
| Smiles | C1=CC=C2C(=C1)C3=NC=CC4=C3C(=N2)C(=O)C(=C4C5=C(C(=O)C6=NC7=C(C=C(C=C7)O)C8=NC=CC5=C86)O)O |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Supina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Stephania Delavayi (Plant) Rel Props:Source_db:cmaup_ingredients