Summary

IMPPAT Phytochemical identifier: IMPHY013969

Phytochemical name: 5H-1,3-benzodioxolo(6,5,4-de)benzo(g)quinolin-11-ol, 6,7,7a,8-tetrahydro-4,12-dimethoxy-, (7aS)-

Synonymous chemical names:
hernandine

External chemical identifiers:
CID:497209

---

Chemical structure information

SMILES:
COc1c2OCOc2c2-c3c(C[C@H]4c2c1CCN4)ccc(c3OC)O

InChI:
InChI=1S/C19H19NO5/c1-22-16-10-5-6-20-11-7-9-3-4-12(21)17(23-2)13(9)15(14(10)11)18-19(16)25-8-24-18/h3-4,11,20-21H,5-8H2,1-2H3/t11-/m0/s1

InChIKey:
YXEGRGRGBCJQIV-NSHDSACASA-N

DeepSMILES:
COccOCOc5c-ccC[C@H]c6c%13CCN6)))))))cccc6OC)))O

Functional groups:
CNC, c1cOCO1, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)CC1NCCc3cc4c(c-2c31)OCO4

Scaffold Graph/Node level:
C1CCC2C(C1)CC1NCCC3CC4OCOC4C2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCCC3CC4CCCC4C2C13

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Aporphines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Aporphine alkaloids, Isoquinoline alkaloids

NP-Likeness score: 2.114

---

Chemical structure download