Summary

IMPPAT Phytochemical identifier: IMPHY012565

Phytochemical name: Sanguinine

Synonymous chemical names:
sanguinine

External chemical identifiers:
CID:443722, ChEMBL:CHEMBL1524, ChEBI:32117, ZINC:ZINC000004102420, FDASRS:L7ZOW3CZ7W, SureChEMBL:SCHEMBL19766125

---

Chemical structure information

SMILES:
O[C@H]1C=C[C@@]23[C@H](C1)Oc1c3c(ccc1O)CN(CC2)C

InChI:
InChI=1S/C16H19NO3/c1-17-7-6-16-5-4-11(18)8-13(16)20-15-12(19)3-2-10(9-17)14(15)16/h2-5,11,13,18-19H,6-9H2,1H3/t11-,13-,16-/m0/s1

InChIKey:
OYSGWKOGUVOGFQ-RBOXIYTFSA-N

DeepSMILES:
O[C@H]C=C[C@][C@H]C6)Occ5cccc6O))))CNCC%10))C

Functional groups:
CC=CC, CN(C)C, CO, cO, cOC

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCNCc4cccc(c42)OC3CC1

Scaffold Graph/Node level:
C1CC2CNCCC34CCCCC3OC(C1)C24

Scaffold Graph level:
C1CCC23CCCCC2CC2CCCC(C1)C23

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Galanthamine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 2.443

---

Chemical structure download