Tecleaverdoornine
PubChem CID: 152710
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| Compound Synonyms | Tecleaverdoornine, 65847-03-2, CCRIS 3583, Tecleaverdoornine I, DTXSID10216039, NSC348951, NSC 348951, 8-methoxy-10-(3-methylbut-2-enyl)-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-16-ol, TECLEAV, 8-methoxy-10-(3-methylbut-2-enyl)-4,12,14-trioxa-2-azatetracyclo(7.7.0.03,7.011,15)hexadeca-1(16),2,5,7,9,11(15)-hexaen-16-ol, CHEMBL572482, DTXCID60138530, NSC-348951 |
|---|---|
| Topological Polar Surface Area | 74.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 494.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-10-(3-methylbut-2-enyl)-4,12,14-trioxa-2-azatetracyclo[7.7.0.03,7.011,15]hexadeca-1(16),2,5,7,9,11(15)-hexaen-16-ol |
| Prediction Hob | 1.0 |
| Xlogp | 4.1 |
| Molecular Formula | C18H17NO5 |
| Prediction Swissadme | 1.0 |
| Inchi Key | DVYGQAMJPXHFED-UHFFFAOYSA-N |
| Fcsp3 | 0.2777777777777778 |
| Logs | -3.93 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.705 |
| Compound Name | Tecleaverdoornine |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 327.111 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 327.111 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 327.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.768716533333333 |
| Inchi | InChI=1S/C18H17NO5/c1-9(2)4-5-10-12-13(14(20)17-16(10)23-8-24-17)19-18-11(6-7-22-18)15(12)21-3/h4,6-7,20H,5,8H2,1-3H3 |
| Smiles | CC(=CCC1=C2C(=C(C3=C1OCO3)O)N=C4C(=C2OC)C=CO4)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Oricia Suaveolens (Plant) Rel Props:Source_db:cmaup_ingredients