Clausenawalline A
PubChem CID: 53361769
Connections displayed (default: 10).
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| Compound Synonyms | Clausenawalline A, 8-(9-hydroxy-3,3,10-trimethyl-7H-pyrano(3,2-g)carbazol-8-yl)-3,3,10-trimethyl-7H-pyrano(3,2-g)carbazol-9-ol, 8-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol, CHEMBL2037030 |
|---|---|
| Topological Polar Surface Area | 90.5 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 42.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1030.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-(9-hydroxy-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-8-yl)-3,3,10-trimethyl-7H-pyrano[3,2-g]carbazol-9-ol |
| Prediction Hob | 0.0 |
| Xlogp | 8.3 |
| Molecular Formula | C36H32N2O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CZPITFOVEOGBRD-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.456 |
| Rotatable Bond Count | 1.0 |
| Logd | 5.104 |
| Compound Name | Clausenawalline A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 556.236 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 556.236 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 556.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -8.93759963809524 |
| Inchi | InChI=1S/C36H32N2O4/c1-17-15-21-27-19-11-13-35(3,4)41-25(19)9-7-23(27)37-31(21)29(33(17)39)30-32-22(16-18(2)34(30)40)28-20-12-14-36(5,6)42-26(20)10-8-24(28)38-32/h7-16,37-40H,1-6H3 |
| Smiles | CC1=CC2=C(C(=C1O)C3=C(C(=CC4=C3NC5=C4C6=C(C=C5)OC(C=C6)(C)C)C)O)NC7=C2C8=C(C=C7)OC(C=C8)(C)C |
| Nring | 8.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bulbine Asphodeloides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cicer Cuneatum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Croton Hutchinsonianus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Delphinium Speciosum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Griselinia Scandens (Plant) Rel Props:Source_db:npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Gutenbergia Marginata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Helicia Erratica (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 8. Outgoing r'ship
FOUND_INto/from Hyptis Urticoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 9. Outgoing r'ship
FOUND_INto/from Ipomoea Carnea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Iris Sanguinea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Monachosorum Maximowiczii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 12. Outgoing r'ship
FOUND_INto/from Nardia Scalaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 13. Outgoing r'ship
FOUND_INto/from Otholobium Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 14. Outgoing r'ship
FOUND_INto/from Podocalyx Loranthoides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 15. Outgoing r'ship
FOUND_INto/from Populus Candicans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Rhododendron Edgeworthii (Plant) Rel Props:Source_db:npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Sarcophyton Infundibuliforme (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 18. Outgoing r'ship
FOUND_INto/from Trixis Grisebachii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Yucca Elata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all