Structure of molecule 24305

Molecule card · MolClass #24305

HMDB03023

HMDB03023: 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
HMDB03023Metabolite Likeness · compound_name
MolClass ID
24305
InChIKey
RVCNKTPCHZNAAO-UZDKSQMHSA-N
Canonical SMILES
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CC1C(COP(=O)(O)OP(O)(O)=O)C1(C)(CCC=C(C)CCC=C(C)CCC=C(C)C)
Standard InChI
InChI=1S/C40H68O7P2/c1-31(2)17-11-19-33(5)21-13-23-35(7)25-15-26-37(9)29-38-39(30-46-49(44,45)47-48(41,42)43)40(38,10)28-16-27-36(8)24-14-22-34(6)20-12-18-32(3)4/h17-18,21-22,25,27,29,38-39H,11-16,19-20,23-24,26,28,30H2,1-10H3,(H,44,45)(H2,41,42,43)/b33-21+,34-22+,35-25+,36-27+,37-29+/t38-,39-,40-/m1/s1
Stored Murcko scaffold
C1CC1

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
7
CDK 2.12 · 2026-08-19
Hydrogen bond donors
3
CDK 2.12 · 2026-08-19
Rotatable bonds
24
CDK 2.12 · 2026-08-19
Topological polar surface area
132.91 Ų
CDK 2.12 · 2026-08-19
Molecular weight
722.913 g/mol
CDK 2.12 · 2026-08-19
XLogP
11.225
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.

  • Metabolite Likeness

    Dataset #15 · HMDB03023