Simocyclinone D4
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Category | Antibiotics |
Catalog number | BBF-02913 |
CAS | |
Molecular Weight | 897.83 |
Molecular Formula | C46H43NO18 |
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Description
It is produced by the strain of Streptomyces antibioticus Tu 6040. It has moderate anti-gram-positive bacteria activity and has inhibitory effect on a variety of tumor cells. It inhibits HMO2, MCF7 and HEP G2 cells with GI50 (μmol/L) of 0.30, 5.6 and 8.5, respectively.
Specification
IUPAC Name | [(2R,3R,4R,6R)-3-acetyloxy-2-methyl-6-(2,7,9,11,13-pentahydroxy-5-methyl-3,18-dioxo-19-oxapentacyclo[8.8.1.01,10.02,7.012,17]nonadeca-4,12(17),13,15-tetraen-14-yl)oxan-4-yl] (2E,4E,6E,8E)-10-[(4,7-dihydroxy-2-oxochromen-3-yl)amino]-10-oxodeca-2,4,6,8-tetraenoate |
Canonical SMILES | CC1C(C(CC(O1)C2=C(C3=C(C=C2)C(=O)C45C(C3O)(O4)C(CC6(C5(C(=O)C=C(C6)C)O)O)O)O)OC(=O)C=CC=CC=CC=CC(=O)NC7=C(C8=C(C=C(C=C8)O)OC7=O)O)OC(=O)C |
InChI | InChI=1S/C46H43NO18/c1-21-16-31(50)45(60)43(59,19-21)20-32(51)44-41(57)35-27(40(56)46(44,45)65-44)15-14-25(37(35)54)29-18-30(39(22(2)61-29)62-23(3)48)63-34(53)11-9-7-5-4-6-8-10-33(52)47-36-38(55)26-13-12-24(49)17-28(26)64-42(36)58/h4-17,22,29-30,32,39,41,49,51,54-55,57,59-60H,18-20H2,1-3H3,(H,47,52)/b6-4+,7-5+,10-8+,11-9+/t22-,29-,30-,32?,39-,41?,43?,44?,45?,46?/m1/s1 |
InChI Key | BYRCKZGAZLSMGB-BAPBEFBESA-N |
Properties
Appearance | Yellow Powder |
Antibiotic Activity Spectrum | Gram-positive bacteria; Neoplastics (Tumor) |
Melting Point | >200°C |
Solubility | Soluble in Methanol |
Reference Reading
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2