Orisuaveoline A
PubChem CID: 135953334
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| Compound Synonyms | Orisuaveoline A, 18-hydroxy-3,13,21-triazapentacyclo(11.8.0.02,10.04,9.015,20)henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one, 18-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one, CHEMBL575438, 1105671-13-3 |
|---|---|
| Topological Polar Surface Area | 68.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 548.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 18-hydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15(20),16,18-octaen-14-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C18H13N3O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HZSWRGHOTULQJO-UHFFFAOYSA-N |
| Fcsp3 | 0.1111111111111111 |
| Logs | -5.152 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.206 |
| Compound Name | Orisuaveoline A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 303.101 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 303.101 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 303.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.6250945478260865 |
| Inchi | InChI=1S/C18H13N3O2/c22-10-5-6-13-15(9-10)20-17-16-12(7-8-21(17)18(13)23)11-3-1-2-4-14(11)19-16/h1-6,9,19,22H,7-8H2 |
| Smiles | C1CN2C(=NC3=C(C2=O)C=CC(=C3)O)C4=C1C5=CC=CC=C5N4 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oricia Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients