Illudin M

Details

• Internal ID: 6d209fce-3dba-4f7a-9a4d-c1578d2234d7
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Illudanes and illudins
• IUPAC Name: (1S,5R)-1,5-dihydroxy-2,2,5,7-tetramethylspiro[1H-indene-6,1'-cyclopropane]-4-one
• InChI: InChI=1S/C15H20O3/c1-8-10-9(7-13(2,3)12(10)17)11(16)14(4,18)15(8)5-6-15/h7,12,17-18H,5-6H2,1-4H3/t12-,14+/m1/s1
• InChI Key: QVMDIQLUNODCTG-OCCSQVGLSA-N
• Popularity: 27 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₃
• Molecular Weight: 248.32 g/mol
• Exact Mass: 248.14124450 g/mol
• Topological Polar Surface Area (TPSA): 57.50 Ų
• XlogP: 0.80

Synonyms

• 1146-04-9
• 0ASO6A4L61
• NSC-400978
• DTXSID801031276
• NSC-626370
• (1S,5R)-1,5-dihydroxy-2,2,5,7-tetramethylspiro[1H-indene-6,1'-cyclopropane]-4-one
• (3'S-trans)-2',3'-Dihydro-3'b,6'a-dihydroxy-2',2',4',6'-tetramethylspiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one
• SPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE, 2',3'-DIHYDRO-3',6'-DIHYDROXY-2',2',4',6'-TETRAMETHYL-, (3'S,6'R)-
• (1S,5R)-1,5-dihydroxy-2,2,5,7-tetramethylspiro(1H-indene-6,1'-cyclopropane)-4-one
• RefChem:923324
• DTXCID301516281
• Illudine M
• (-)-Illudin M
• NSC400978
• DR-15977
• (-)-1alpha,7beta-dihydroxy-2,9-illudadien-8-one
• (3'S,6'R)-3',6'-dihydroxy-2',2',4',6'-tetramethyl-2',3',6',7'-tetrahydrospiro[cyclopropane-1,5'-inden]-7'-one
• (1S,5R)-1,5-dihydroxy-2,2,5,7-tetramethyl-spiro[1H-indene-6,1'-cyclopropane]-4-one
• UNII-0ASO6A4L61
• CCRIS 3539
• MFCD01683965
• NSC 400978
• NSC 626370
• BRN 2286081
• ILLUDIN M [MI]
• NCIMech_000581
• SCHEMBL232710
• CHEBI:5866
• CHEMBL501342
• orb1693653
• QVMDIQLUNODCTG-OCCSQVGLSA-N
• Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S,6'R)-
• Spiro[cyclopropane-1, 2',3'-dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-,(3'S-trans)-
• Spiro[cyclopropane-1, 2',3'-dihydro-3'.beta.,6'.alpha.-dihydroxy- 2',2',4',6'-tetramethyl-
• CCG-35652
• MSK180840
• AKOS040755316
• EBC-615616
• LMPR0103590001
• AC-36762
• DA-54272
• FI178320
• NCI60_003750
• HY-122493
• CS-0085822
• C09687
• Q27106919
• (3'S,6'R)-2',3'-Dihydro-3',6'-dihydroxy-2',2',4',6'-tetramethyl-spiro[cyclopropane-1,5'-[5H]inden]-7'(6'H)-one
• (3'S-TRANS)-2',3'-DIHYDRO-3,6-DIHYDROXY-2',2',4',6'-TETRAMETHYLSPIRO(CYCLOPROPANE-1,5'-(5H)INDEN)-7'(6'H)-ONE
• Spiro(cyclopropane-1,5'-(5H)inden)-7'(6'H)-one, 2',3'-dihydro-3'-beta,6'-alpha-dihydroxy-2',24',6'-tetramethyl-

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL230	P35354	Cyclooxygenase-2	97.16%	89.63%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.68%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	89.80%	90.17%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.75%	97.25%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.03%	91.11%
CHEMBL2581	P07339	Cathepsin D	87.70%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	85.93%	94.75%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	85.20%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.60%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	83.06%	97.09%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.75%	93.03%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 344199
• LOTUS: LTS0077658
• wikiData: Q27106919