Elaeocarpidine
PubChem CID: 355436
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Elaeocarpidine, 20069-07-2, NSC608986, (1S,14S)-3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraene, NSC-608986, C10590, CHEBI:4765, DTXSID601108372, 77646-17-4, Q27106469, Pyrrolo[2'',3']pyrimido[1',6':1,2]pyrido[3,4-b]indole, 1,2,3,3a,5,6,11,1b,12,13-decahydro-, cis-, Pyrrolo[2,1:2',3']pyrimido[1',6':1,2]pyrido[3,4-b]indole, 1,2,3,3a,5,6,11,1b,12,13-decahydro-, cis-, rel-(3aR,11bR)-1,2,3,3a,5,6,11,11b,12,13-Decahydropyrrolo[2a(2)a(2),1a(2)a(2):2a(2),3a(2)]pyrimido[1a(2),6a(2):1,2]pyrido[3,4-b]indole |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 22.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C2CCC2C3CCCC3CCC21 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | CCN[C@H]C5)NCCcc[C@@H]6CC%10)))[nH]cc5cccc6 |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1C2CCN2C1CCN1CCCC12 |
| Classyfire Subclass | Pyridoindoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 384.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,14S)-3,13,18-triazapentacyclo[11.7.0.02,10.04,9.014,18]icosa-2(10),4,6,8-tetraene |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C17H21N3 |
| Scaffold Graph Node Bond Level | c1ccc2c3c([nH]c2c1)C1CCN2CCCC2N1CC3 |
| Inchi Key | MQDDWIVNNZPOCB-HOTGVXAUSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | elaeocarpidine |
| Esol Class | Soluble |
| Functional Groups | C[C@@H](N(C)C)N(C)C, c[nH]c |
| Compound Name | Elaeocarpidine |
| Exact Mass | 267.174 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 267.174 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 267.37 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C17H21N3/c1-2-5-14-12(4-1)13-7-11-20-15(17(13)18-14)8-10-19-9-3-6-16(19)20/h1-2,4-5,15-16,18H,3,6-11H2/t15-,16-/m0/s1 |
| Smiles | C1C[C@H]2N(C1)CC[C@@H]3N2CCC4=C3NC5=CC=CC=C45 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Elaeocarpus Serratus (Plant) Rel Props:Reference:ISBN:9788185042084; ISBN:9788185042138