Structure of molecule 1830

Molecule card · MolClass #1830

Lycorine hydrochloride

Lycorine hydrochloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

1 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
Lycorine hydrochlorideFlucanozole Synergizer · compound_name
MolClass ID
1830
InChIKey
XGVJWXAYKUHDOO-KDMZPGMDSA-N
Canonical SMILES
OC2C=C3CCN4Cc1cc5OCOc5(cc1C(C2(O))C34)
Standard InChI
InChI=1S/C16H17NO4/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/h3-5,11,14-16,18-19H,1-2,6-7H2/t11-,14-,15?,16+/m0/s1
Stored Murcko scaffold
O1c2cc3c(cc2OC1)C4CCC=C5CCN(C3)C54

Registry normalization: MIGRATED_RAW. A registry entry does not establish drug approval or clinical use.

Molecules with the same Murcko scaffold

Exact matches to the stored ring-and-linker framework. Sharing a scaffold does not by itself establish activity or applicability to a model.

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors
3
CDK 2.12 · 2026-08-19
Hydrogen bond donors
2
CDK 2.12 · 2026-08-19
Rotatable bonds
0
CDK 2.12 · 2026-08-19
Topological polar surface area
62.16 Ų
CDK 2.12 · 2026-08-19
Molecular weight
287.311 g/mol
CDK 2.12 · 2026-08-19
XLogP
0.093
CDK 2.12 · 2026-08-19

Saved model predictions

Computational predictions, not experimental measurements or clinical guidance. Results depend on the model build; applicability indicates similarity to its training chemistry.

No saved predictions yet. Explore classification models to choose a prediction.

Source datasets

Dataset registrations and identifiers stored in MolClass.

  • Flucanozole Synergizer

    Dataset #3 · Lycorine hydrochloride