Severifoline
PubChem CID: 10406290
Connections displayed (default: 10).
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| Compound Synonyms | severifoline, 6-hydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-12H-pyrano(2,3-c)acridin-7-one, 6-hydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-12H-pyrano[2,3-c]acridin-7-one, CHEMBL517032, 84306-81-0 |
|---|---|
| Topological Polar Surface Area | 58.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 27.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 648.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-3,3-dimethyl-5-(3-methylbut-2-enyl)-12H-pyrano[2,3-c]acridin-7-one |
| Prediction Hob | 1.0 |
| Xlogp | 6.0 |
| Molecular Formula | C23H23NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MQTBJPBDZOXQNG-UHFFFAOYSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -2.628 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.878 |
| Compound Name | Severifoline |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 361.168 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 361.168 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 361.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.900137903703705 |
| Inchi | InChI=1S/C23H23NO3/c1-13(2)9-10-16-21(26)18-19(15-11-12-23(3,4)27-22(15)16)24-17-8-6-5-7-14(17)20(18)25/h5-9,11-12,26H,10H2,1-4H3,(H,24,25) |
| Smiles | CC(=CCC1=C2C(=C3C(=C1O)C(=O)C4=CC=CC=C4N3)C=CC(O2)(C)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atalantia Buxifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atalantia Ceylanica (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Atalantia Monophylla (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Atalantia Racemosa (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Atalantia Wightii (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Barleria Buxifolia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Cotoneaster Buxifolia (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Diospyros Buxifolia (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Maba Buxifolia (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Maytenus Buxifolia (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Scutia Buxifolia (Plant) Rel Props:Reference: