Illudin S

• CAS: 1149-99-1
• Catalog Number: ACM1149991
• Category: Others
• Molecular Weight: 264.32
• Molecular Formula: C15H20O4
• Description: Illudin S is a fungal sesquiterpene that, through their unique DNA alkylating actions, have anticancer potential. Illudin S is a cytotoxic illudin that is converted, intracellularly, to metabolites that cause a complete block of cell cycling at the G1-S phase interface, particularly in myeloid and T-lymphocyte leukemia cells (IC50 = 6-11 nM). T-lymphocyte leukemia CEM cells that are resistant to doxorubicin (Item No. 15007), epipodophyllotoxins, and 1-β-D-arabinofuranosylcytosine display only 2-fold increased resistance to illudin S. Illudin S metabolites induce DNA damage that is not repaired by the processes that counter conventional DNA alkylating agents.
• Synonyms: Illudin S; DR-15978; DR 15978; DR15978; NSC 626369; NSC-626369; NSC626369; Lunamycin; Lampterol
• IUPAC Name: (2'S,3'R,6'R)-3',6'-dihydroxy-2'-(hydroxymethyl)-2',4',6'-trimethyl-2',3'-dihydrospiro[cyclopropane-1,5'-inden]-7'(6'H)-one
• Canonical SMILES: CC1=C2[C@H]([C@](CO)(C=C2C([C@](O)(C13CC3)C)=O)C)O
• InChI: InChI=1S/C15H20O4/c1-8-10-9(6-13(2,7-16)12(10)18)11(17)14(3,19)15(8)4-5-15/h6,12,16,18-19H,4-5,7H2,1-3H3/t12-,13+,14+/m1/s1
• InChI Key: DDLLIYKVDWPHJI-RDBSUJKOSA-N
• Melting Point: 124-126°C
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Shelf Life: >3 years if stored properly
• Storage: Dry, dark and at 0-4 °C for short term (days to weeks) or -20 °C for long term (months to years).
• Drug Formulation: This drug may be formulated in DMSO
• Elemental Analysis: C, 68.16; H, 7.63; O, 24.21
• Exact Mass: 264.1362
• HS Tariff Code: 2934.99.03.00
• Shipping: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
• Stock Solution Storage: 0-4 °C for short term (days to weeks), or -20 °C for long term (months).

Custom Q&A

What is the molecular formula of Illudin S?

The molecular formula of Illudin S is C15H20O4.

Where is Illudin S found in nature?

Illudin S is a natural product found in Omphalotus olivascens, Omphalotus guepiniformis, and other organisms with data available.

What is the IUPAC name of Illudin S?

The IUPAC name of Illudin S is (1R,2S,5R)-1,5-dihydroxy-2-(hydroxymethyl)-2,5,7-trimethylspiro[1H-indene-6,1'-cyclopropane]-4-one.

What is the molecular weight of Illudin S?

The molecular weight of Illudin S is 264.32 g/mol.

What is the Canonical SMILES of Illudin S?

The Canonical SMILES of Illudin S is CC1=C2C(C(C=C2C(=O)C(C13CC3)(C)O)(C)CO)O.

What is the InChIKey of Illudin S?

The InChIKey of Illudin S is DDLLIYKVDWPHJI-RDBSUJKOSA-N.

How many hydrogen bond donor counts does Illudin S have?

Illudin S has 3 hydrogen bond donor counts.

What is the topological polar surface area of Illudin S?

The topological polar surface area of Illudin S is 77.8 Ų.

What is the heavy atom count of Illudin S?

The heavy atom count of Illudin S is 19.

What is the XLogP3-AA value of Illudin S?

The XLogP3-AA value of Illudin S is 0.1.