Summary

IMPPAT Phytochemical identifier: IMPHY004259

Phytochemical name: Corynoxine B

Synonymous chemical names:
corynoxine b

External chemical identifiers:
CID:10091424, ChEMBL:CHEMBL1909423, ChEBI:70070, ZINC:ZINC000017149644, SureChEMBL:SCHEMBL17531564, MolPort-046-417-454

---

Chemical structure information

SMILES:
CO/C=C([C@H]1C[C@@H]2N(C[C@H]1CC)CC[C@@]12C(=O)Nc2c1cccc2)/C(=O)OC

InChI:
InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15+,19+,22-/m1/s1

InChIKey:
DAXYUDFNWXHGBE-XYEDMTIPSA-N

DeepSMILES:
CO/C=C[C@H]C[C@@H]NC[C@H]6CC))))CC[C@]5C=O)Ncc5cccc6)))))))))))))))/C=O)OC

Functional groups:
CN(C)C, CO/C=C(C)C(=O)OC, cNC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Nc2ccccc2C12CCN1CCCCC12

Scaffold Graph/Node level:
OC1NC2CCCCC2C12CCN1CCCCC12

Scaffold Graph level:
CC1CC2CCCCC2C12CCC1CCCCC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type, Simple oxindole alkaloids

NP-Likeness score: 1.881

---

Chemical structure download