2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione

C19H25N3O5 — CID 6806620

IUPAC2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESCC12CCC3C(CCC4C(=NO)C(=O)C(=NO)CC43C)C1CC(=NO)C2=O
InChIInChI=1S/C19H25N3O5/c1-18-6-5-10-9(12(18)7-13(20-25)17(18)24)3-4-11-15(22-27)16(23)14(21-26)8-19(10,11)2/h9-12,25-27H,3-8H2,1-2H3
InChIKeyNXCBMMQBNAUFSJ-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.49
Rot. Bonds

About 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione

2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione (PubChem CID 6806620) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione.

Molecular Properties

Compound Name2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione
PubChem CID6806620
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Name2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione
SMILESCC12CCC3C(CCC4C(=NO)C(=O)C(=NO)CC43C)C1CC(=NO)C2=O
InChIInChI=1S/C19H25N3O5/c1-18-6-5-10-9(12(18)7-13(20-25)17(18)24)3-4-11-15(22-27)16(23)14(21-26)8-19(10,11)2/h9-12,25-27H,3-8H2,1-2H3
InChIKeyNXCBMMQBNAUFSJ-UHFFFAOYSA-N
XLogP2.49
TPSA131.91 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,5S,8R,9S,10S,13R,14R,16E)-3-hydroxy-16-hydroxyimino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 11923582
(3S,5S,8R,9S,10S,13S,14S)-3-hydroxy-16-hydroxyimino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 131875316
(16E)-3-hydroxy-16-hydroxyimino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-17-one
CID 6411352
16-hydroxyimino-4,4,10,13-tetramethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 6795224
(8R,9S,13R,14S,16E)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 71524608
(8S,9S,13S,14S,16Z)-16-hydroxyimino-3-methoxy-13-methyl-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-17-one
CID 98574317
(3R,5S,8R,9S,10S,13S,14S)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthrene-16,17-dione
CID 67024949
(5S,8R,9S,10S,13S,14S)-17-hydroxyimino-10,13-dimethyl-2,4,5,6,7,8,9,11,12,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-3-one
CID 154341751
(5S,8R,9S,10S,13S,14S)-2,16-bis(1,1,1,3,3,3-hexafluoropropan-2-ylidene)-10,13-dimethyl-4,5,6,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 154287060
[(8R,9R,10S,13S,14S)-10,13-dimethyl-17-oxo-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-16-ylidene]methyl acetate
CID 91044489
(3aR,5aR,6R)-6-hydroxy-3a,5a-dimethyl-3,3b,4,5,6,7,8,8a,8b,9,10,10a-dodecahydro-1H-indeno[5,4-e]inden-2-one
CID 133268894
(8R,9R,10R,13S,14S)-4-imino-10,13-dimethyl-2-methylidene-5,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione
CID 56996570

Frequently Asked Questions

What is the IUPAC name of 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The IUPAC name of 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione (CID 6806620) is 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione.
What is the SMILES notation for 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The canonical SMILES for 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione is CC12CCC3C(CCC4C(=NO)C(=O)C(=NO)CC43C)C1CC(=NO)C2=O.
What is the InChIKey of 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione?
The InChIKey is NXCBMMQBNAUFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5/c1-18-6-5-10-9(12(18)7-13(20-25)17(18)24)3-4-11-15(22-27)16(23)14(21-26)8-19(10,11)2/h9-12,25-27H,3-8H2,1-2H3.
What are the key properties of 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione?
2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione has a molecular weight of 375.43 g/mol, XLogP of 2.49, 0 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,16-tris(hydroxyimino)-10,13-dimethyl-1,5,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthrene-3,17-dione is sourced from PubChem (CID 6806620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).