Structure of molecule 1488

Molecule card · MolClass #1488

Palmatine chloride

Palmatine chloride: molecular structure, identifiers, source datasets and 0 saved model results in MolClass.

2 source records · 0 model builds with saved results

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Structure and identifiers

Imported compound names
Palmatine chlorideFlucanozole Synergizer · compound_name
MolClass ID
1488
InChIKey
QUCQEUCGKKTEBI-UHFFFAOYSA-N
Canonical SMILES
COc2ccc1cc3c4cc(OC)c(cc4(CC[n+]3(cc1c2(OC))))OC
Standard InChI
InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
Stored Murcko scaffold
c1ccc2c[n+]3c(cc2c1)-c4ccccc4CC3

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
0
CDK 2.12 · 2026-08-19
Hydrogen bond donors
0
CDK 2.12 · 2026-08-19
Rotatable bonds
4
CDK 2.12 · 2026-08-19
Topological polar surface area
40.8 Ų
CDK 2.12 · 2026-08-19
Molecular weight
352.404 g/mol
CDK 2.12 · 2026-08-19
XLogP
4.774
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 · Palmatine chloride

  • BetaCell Transdifferentiation

    Dataset #11 · 1084508