9,10-Secolycoran-1alpha-ol, 3,3a-didehydro-2beta-methoxy-O9-methyl-
PubChem CID: 97315
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| Compound Synonyms | 517-78-2, 3,12-Didehydro-2beta,9,10-trimethoxygalanthan-1alpha-ol, VOIMPDXOQJYVDI-UHFFFAOYSA-N, NSC115496, NSC 115496, NSC-115496, 9, 3,3a-didehydro-2.beta.-methoxy-O9-methyl-, 2,9,10-Trimethoxy-3,12-didehydrogalanthan-1-ol-, (1.alpha.,2.beta.)-, 9,10-Secolycoran-1.alpha.-ol, 3,3a-didehydro-2.beta.-methoxy-O9-methyl-, 9,10-Secolycoran-1alpha-ol, 3,3a-didehydro-2beta-methoxy-O9-methyl-, Galanthan-1-ol, 3,12-didehydro-2,9,10-trimethoxy-, (1.alpha.,2.beta.)-, Galanthan-1-ol, 3,12-didehydro-2,9,10-trimethoxy-, (1alpha,2beta)-, Galanthan-1-ol,12-didehydro-2,9,10-trimethoxy-, (1.alpha.,2.beta.)- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 51.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCC3CCCC2C31 |
| Np Classifier Class | Amarylidaceae alkaloids, Indolizidine alkaloids |
| Deep Smiles | COCC=CCCNC5CC9O))cccOC))ccc6C%10)))OC |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)CN1CCC3CCCC2C31 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 482.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,14-trimethoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraen-15-ol |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.6 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H23NO4 |
| Scaffold Graph Node Bond Level | C1=C2CCN3Cc4ccccc4C(CC1)C23 |
| Inchi Key | VOIMPDXOQJYVDI-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | galanthine |
| Esol Class | Soluble |
| Functional Groups | CC=C(C)C, CN(C)C, CO, COC, cOC |
| Compound Name | 9,10-Secolycoran-1alpha-ol, 3,3a-didehydro-2beta-methoxy-O9-methyl- |
| Exact Mass | 317.163 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.163 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 317.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C18H23NO4/c1-21-13-7-11-9-19-5-4-10-6-15(23-3)18(20)16(17(10)19)12(11)8-14(13)22-2/h6-8,15-18,20H,4-5,9H2,1-3H3 |
| Smiles | COC1C=C2CCN3C2C(C1O)C4=CC(=C(C=C4C3)OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Lysine alkaloids, Tyrosine alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Narcissus Tazetta (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279 - 2. Outgoing r'ship
FOUND_INto/from Zephyranthes Carinata (Plant) Rel Props:Reference:ISBN:9788185042084