Stigmalactam
PubChem CID: 10314215
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| Compound Synonyms | STIGMALACTAM, 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one, 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo(7.6.1.02,7.012,16)hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one, CHEMBL486789, AKOS040735133, 289499-72-5 |
|---|---|
| Topological Polar Surface Area | 77.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 500.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-hydroxy-13,14,15-trimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C18H15NO5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GHYWNOWXFZMSSL-UHFFFAOYSA-N |
| Fcsp3 | 0.1666666666666666 |
| Logs | -5.955 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.772 |
| Compound Name | Stigmalactam |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 325.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 325.095 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 325.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.352350666666667 |
| Inchi | InChI=1S/C18H15NO5/c1-22-15-12-10-7-9(20)5-4-8(10)6-11-13(12)14(18(21)19-11)16(23-2)17(15)24-3/h4-7,20H,1-3H3,(H,19,21) |
| Smiles | COC1=C(C(=C2C3=C(C=C4C=CC(=CC4=C31)O)NC2=O)OC)OC |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Fissistigma Balansae (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Fissistigma Oldhamii (Plant) Rel Props:Source_db:cmaup_ingredients