Cissaglaberrimine
PubChem CID: 10016564
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Cissaglaberrimine, 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-7-ol |
|---|---|
| Topological Polar Surface Area | 50.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 417.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-7-ol |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C17H15NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CBHABFQDMCRWKQ-UHFFFAOYSA-N |
| Fcsp3 | 0.2941176470588235 |
| Logs | -2.194 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.114 |
| Compound Name | Cissaglaberrimine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 281.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 281.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 281.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5693853428571423 |
| Inchi | InChI=1S/C17H15NO3/c19-15-11-5-6-18-12-7-9-3-1-2-4-10(9)14(13(11)12)16-17(15)21-8-20-16/h1-4,12,18-19H,5-8H2 |
| Smiles | C1CNC2CC3=CC=CC=C3C4=C5C(=C(C1=C24)O)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artabotrys Uncinatus (Plant) Rel Props:Source_db:cmaup_ingredients