Summary

IMPPAT Phytochemical identifier: IMPHY005408

Phytochemical name: Corydalmine

Synonymous chemical names:
(-)-corydalmine, corydalmine

External chemical identifiers:
CID:161665, ChEMBL:CHEMBL448891, ZINC:ZINC000031474869, FDASRS:DV8DX4568D, MolPort-019-996-257

---

Chemical structure information

SMILES:
COc1cc2c(cc1OC)CCN1[C@H]2Cc2ccc(c(c2C1)OC)O

InChI:
InChI=1S/C20H23NO4/c1-23-18-9-13-6-7-21-11-15-12(4-5-17(22)20(15)25-3)8-16(21)14(13)10-19(18)24-2/h4-5,9-10,16,22H,6-8,11H2,1-3H3/t16-/m0/s1

InChIKey:
DIHXHTWYVOYYDC-INIZCTEOSA-N

DeepSMILES:
COcccccc6OC))))CCN[C@H]6Ccccccc6C%10))OC)))O

Functional groups:
CN(C)C, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1c3ccccc3CCN1C2

Scaffold Graph/Node level:
C1CCC2CN3CCC4CCCCC4C3CC2C1

Scaffold Graph level:
C1CCC2CC3C(CCC4CCCCC43)CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Protoberberine alkaloids and derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids, Protoberberine alkaloids

NP-Likeness score: 1.197

---

Chemical structure download