Npc329007

HCID 2193

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: CC12CCC3C(CCC4=CC(=O)CCC43C)C1CCC2=O
InChIKey: AEMFNILZOJDQLW-UHFFFAOYSA-N
Molecular formula: C19H26O2
Average molar mass: 286.4 g/mol
Monoisotopic mass: 286.19328007

Names & identifiers

Preferred name: Npc329007
IUPAC: 10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione

Names & synonyms

RefChem:1093163Npc3290074-Androsten-3,17-dioneCHEMBL274826MFCD00003615NCIOpen2_003213SCHEMBL9926734HMS1648G10SCA03485BDBM50025428AKOS001580988AKOS017258742

Show more names

NCGC00015109-02NCGC00015109-03NCGC00015109-0410,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dioneLS-14731DB-054395AB01334090-022,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-ene-5,14-dione

Database identifiers

PubChem CID: 2193

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 34.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 21
Formal charge: 0
Complexity: 546

Related reactions

9 records

New reaction record

HRID 100633As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 165313As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 293417As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 293705As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 690652As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

HRID 836801As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1208704As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

HRID 1238667As reactantTraining data from https://doi.org/10.1039/C8SC04228D (5/10)

Compound notes

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