Structure of molecule 36610

Molecule card · MolClass #36610

14719318

14719318: 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
14719318Mitochondrial Fusion · compound_name
MolClass ID
36610
InChIKey
ZGVSETXHNHBTRK-UDJLNJFBSA-N
Canonical SMILES
CC8CCC9C(C)C3C(CC2C4CC=C1CC(CCC1(C)C4(CCC23(C)))OC7OC(CO)C(O)C(OC5OC(CO)C(O)C(O)C5(O))C7(OC6OC(C)C(O)C(O)C6(O)))N9(C8)
Standard InChI
InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23-,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41-,42-,43+,44-,45-/m0/s1
Stored Murcko scaffold
O1CCCCC1OC2CCOC(OC3CC4=CCC5C(CCC6C7CC8N(CCCC8)C7CC56)C4CC3)C2OC9OCCCC9

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
16
CDK 2.12 · 2026-08-19
Hydrogen bond donors
9
CDK 2.12 · 2026-08-19
Rotatable bonds
8
CDK 2.12 · 2026-08-19
Topological polar surface area
240.69 Ų
CDK 2.12 · 2026-08-19
Molecular weight
868.061 g/mol
CDK 2.12 · 2026-08-19
XLogP
2.664
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.

  • Mitochondrial Fusion

    Dataset #19 · 14719318