Molecule card · MolClass #1470

Lumicolchicine gamma

Lumicolchicine gamma: 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: Lumicolchicine gammaFlucanozole Synergizer · compound_name
MolClass ID: 1470
InChIKey: VKPVZFOUXUQJMW-FHSNZYRGSA-N
Canonical SMILES: COC1=CC3C(C1(=O))C=4C(CCc2cc(OC)c(OC)c(OC)c2C3=4)NC(C)=O
Standard InChI: InChI=1S/C22H25NO6/c1-10(24)23-13-7-6-11-8-15(27-3)21(28-4)22(29-5)16(11)17-12-9-14(26-2)20(25)18(12)19(13)17/h8-9,12-13,18H,6-7H2,1-5H3,(H,23,24)/t12-,13+,18-/m1/s1
Stored Murcko scaffold: c1ccc2c(c1)C3=C(CCC2)C4[CH]C=CC34

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.

COC1=CC2C(C1=O)C1C(CCc3cc(OC)c(OC)c(OC)c3C2=1)NC(C)=O#155248

Calculated molecular properties

Stored descriptor calculations, not measured experimental values.

Hydrogen bond acceptors: 4; CDK 2.12 · 2026-08-19
Hydrogen bond donors: 1; CDK 2.12 · 2026-08-19
Rotatable bonds: 6; CDK 2.12 · 2026-08-19
Topological polar surface area: 83.09 Å²; CDK 2.12 · 2026-08-19
Molecular weight: 399.438 g/mol; CDK 2.12 · 2026-08-19
XLogP: 0.799; 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.

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Source datasets

Dataset registrations and identifiers stored in MolClass.

Flucanozole Synergizer
Dataset #3 · Lumicolchicine gamma