Summary

IMPPAT Phytochemical identifier: IMPHY012366

Phytochemical name: Dehydroevidiamine

Synonymous chemical names:
dehydroevodiamine hydrochloride

External chemical identifiers:
CID:156372, ChEMBL:CHEMBL81923, ZINC:ZINC000013434330, MolPort-005-981-197

---

Chemical structure information

SMILES:
C[n+]1c2ccccc2c(=O)n2c1-c1[nH]c3c(c1CC2)cccc3

InChI:
InChI=1S/C19H15N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9H,10-11H2,1H3/p+1

InChIKey:
VXHNSVKJHXSKKM-UHFFFAOYSA-O

DeepSMILES:
C[n+]cccccc6c=O)nc%10-c[nH]ccc5CC9)))cccc6

Functional groups:
c=O, c[n+](c)C, c[nH]c, cn(c)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH+]c2n1CCc1c-2[nH]c2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2NC2C3NC4CCCCC4C3CCN12

Scaffold Graph level:
CC1C2CCCCC2CC2C1CCC1C3CCCCC3CC12

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type, Carboline alkaloids

NP-Likeness score: 0.42

---

Chemical structure download