Summary

IMPPAT Phytochemical identifier: IMPHY007898

Phytochemical name: Dihydrolycorine

Synonymous chemical names:
dihydrolycorine

External chemical identifiers:
CID:11876135, ChEMBL:CHEMBL583061, ZINC:ZINC000004081860, FDASRS:Z7N4S72301, SureChEMBL:SCHEMBL21578274, MolPort-002-526-469

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Chemical structure information

SMILES:
O[C@H]1C[C@H]2CCN3[C@H]2[C@@H]([C@@H]1O)c1cc2OCOc2cc1C3

InChI:
InChI=1S/C16H19NO4/c18-11-3-8-1-2-17-6-9-4-12-13(21-7-20-12)5-10(9)14(15(8)17)16(11)19/h4-5,8,11,14-16,18-19H,1-3,6-7H2/t8-,11+,14+,15-,16-/m1/s1

InChIKey:
VJILFEGOWCJNIK-MGRBZGILSA-N

DeepSMILES:
O[C@H]C[C@H]CCN[C@H]5[C@@H][C@@H]9O))cccOCOc5cc9C%13

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1c2c(cc3c1OCO3)C1CCCC3CCN(C2)C31

Scaffold Graph/Node level:
C1CC2CCN3CC4CC5OCOC5CC4C(C1)C23

Scaffold Graph level:
C1CC2CC3CC4CCC5CCCC(C3CC2C1)C54

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Lycorine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 1.856

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Chemical structure download