Summary

IMPPAT Phytochemical identifier: IMPHY002324

Phytochemical name: Dihydroprotopine

Synonymous chemical names:
dihydroprotopine

Chemical structure information

SMILES:
CN1CCc2cc3OCOc3cc2C(Cc2c(C1)c1OCOc1cc2)O

InChI:
InChI=1S/C20H21NO5/c1-21-5-4-13-7-18-19(25-10-24-18)8-14(13)16(22)6-12-2-3-17-20(15(12)9-21)26-11-23-17/h2-3,7-8,16,22H,4-6,9-11H2,1H3

InChIKey:
VVKPTQWGSHLYGL-UHFFFAOYSA-N

DeepSMILES:
CNCCcccOCOc5cc9CCccC%17)cOCOc5cc9))))))))))O

Functional groups:
CN(C)C, CO, c1cOCO1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c(c3c1CCc1cc4c(cc1CCNC3)OCO4)OCO2

Scaffold Graph/Node level:
C1CC2CC3OCOC3CC2CCC2CCC3OCOC3C2CN1

Scaffold Graph level:
C1CC2CC3CCCCC4C(CCC3CC2C1)CCC1CCCC14

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Dibenzazecins

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.968

---

Chemical structure download