Drug Information
Drug General Information | Top | |||
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Drug ID |
D04RGN
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Former ID |
DNC011037
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Drug Name |
SYMBIOPOLYOL
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Synonyms |
SYMBIOPOLYOL
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C60H99NaO23S
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Canonical SMILES |
CC(C(C(CC=CCC(C=CCCCCCOS(=O)(=O)[O-])O)O)O)C(C(CC(CCC(=CC(C(C1C(C(CC(O1)C(CCC(=C)C(C(C2CC(C(C(O2)C(C(C=CCCC=CC=CC=CCCC=C)O)O)O)O)O)O)O)O)O)O)O)C)O)O)O.[Na+]
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InChI |
1S/C60H100O23S.Na/c1-5-6-7-8-9-10-11-12-13-14-17-20-26-44(65)54(73)59-57(76)48(69)36-50(83-59)58(77)51(70)38(3)29-31-42(63)49-35-47(68)56(75)60(82-49)55(74)45(66)33-37(2)28-30-41(62)34-46(67)53(72)39(4)52(71)43(64)27-22-21-25-40(61)24-19-16-15-18-23-32-81-84(78,79)80;/h5,8-13,19-22,24,26,33,39-77H,1,3,6-7,14-18,23,25,27-32,34-36H2,2,4H3,(H,78,79,80);/q;+1/p-1/b9-8+,11-10+,13-12+,22-21+,24-19+,26-20+,37-33+;/t39?,40?,41-,42+,43?,44+,45+,46-,47+,48+,49+,50+,51-,52?,53+,54-,55-,56+,57+,58-,59-,60-;/m0./s1
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InChIKey |
FTLCRLMIOGRCRI-ZJJHBUFWSA-M
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PubChem Compound ID |
References | Top | |||
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REF 1 | Symbiopolyol, a VCAM-1 inhibitor from a symbiotic dinoflagellate of the jellyfish Mastigias papua. J Nat Prod. 2010 Jul 23;73(7):1318-22. |
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