Summary

IMPPAT Phytochemical identifier: IMPHY006358

Phytochemical name: Curan-17-oic acid, 2,16-didehydro-20-hydroxy-, methyl ester, (20alpha)-

Synonymous chemical names:
lochneridine

External chemical identifiers:
CID:542099

---

Chemical structure information

SMILES:
COC(=O)C1=C2Nc3c(C42C2CC1C(O)(CC)CN2CC4)cccc3

InChI:
InChI=1S/C20H24N2O3/c1-3-19(24)11-22-9-8-20-12-6-4-5-7-14(12)21-17(20)16(18(23)25-2)13(19)10-15(20)22/h4-7,13,15,21,24H,3,8-11H2,1-2H3

InChIKey:
DGKIJZKKTDPACC-UHFFFAOYSA-N

DeepSMILES:
COC=O)C=CNccC5CCC9CO)CC))CN6CC9)))))))))cccc6

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

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2Nc3ccccc3C23CCN2CCC1CC23

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CC3CCN4CCC12C4C3

Scaffold Graph level:
C1CCC2C(C1)CC1CC3CCC4CCC12C4C3

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Strychnos alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type, Strychnos type

NP-Likeness score: 1.903

---

Chemical structure download