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| CAS Number | 518-82-1 |
| Catalog Number | AG00I99C(AGN-PC-07Y4KC) |
| Chemical Name | 9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- |
| EC Number | 208-258-8 |
| IUPAC Name | 1,3,8-trihydroxy-6-methylanthracene-9,10-dione |
| InChI | InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3 |
| InChI Key | RHMXXJGYXNZAPX-UHFFFAOYSA-N |
| MDL Number | MFCD00001207 |
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.2369 |
| SMILES | O=C1C2=C(C=C(C)C=C2O)C(C3=CC(O)=CC(O)=C13)=O |
| UNII | KA46RNI6HN |
| Synonyms | Archin,
Emodin,
Emodin, Frangula,
Emodin, Rheum,
Frangula Emodin,
Frangulic Acid,
Rheum Emodin,
emodin,
518-82-1,
Emodol,
Frangula emodin,
Schuttgelb,
Rheum emodin,
Frangulic acid,
3-Methyl-1,6,8-trihydroxyanthraquinone,
Archin,
1,3,8-trihydroxy-6-methylanthracene-9,10-dione,
Persian Berry Lake,
1,3,8-Trihydroxy-6-methyl-9,10-anthraquinone,
1,3,8-Trihydroxy-6-methylanthraquinone,
6-Methyl-1,3,8-trihydroxyanthraquinone,
C.I. Natural Yellow 14,
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl-,
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione,
4,5,7-Trihydroxy-2-methylanthraquinone,
UNII-KA46RNI6HN,
C.I. 75440,
NSC 408120,
NSC 622947,
CCRIS 3528,
HSDB 7093,
Anthraquinone, 1,3,8-trihydroxy-6-methyl-,
EINECS 208-258-8,
NSC408120,
KA46RNI6HN,
1,3,8-Trihydroxy-6-methylanthra-9,10-quinone,
BRN 1888141,
AI3-38286,
CHEMBL289277,
Anthraquinone, 6-methyl-1,3,8-trihydroxy-,
CHEBI:42223,
RHMXXJGYXNZAPX-UHFFFAOYSA-N,
MFCD00001207,
NSC622947,
AK160242,
1,3,8-tri-hydroxy-6-methyl-anthra-quinone,
Emodin, 95%, tech.,
DSSTox_CID_5231,
DSSTox_RID_77709,
6-Methyl-1,3,8-trihydroxy-9,10-anthracenedione,
DSSTox_GSID_25231,
1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione,
EMO,
Q-100581,
9,10-Anthracenedione, 1,3,8-trihydroxy-6-methyl- (9CI),
1,3,8-trihydroxy-6-methyl-9,10-dihydroanthracene-9,10-dione,
1,8-Trihydroxy-6-methylanthraquinone,
CAS-518-82-1,
SMR000326798,
SR-01000075615,
Embodin,
Emdoin,
rheum emodium,
Frangula-emodin,
Rheum-emodin,
Frangulinic acid,
3bqc,
persian b erry lake,
Emodin,(S),
Spectrum_001954,
1f0q,
3ed0,
SpecPlus_000332,
AC1L1FFZ,
AC1Q2NZJ,
AC1Q6JMT,
Spectrum2_000895,
Spectrum3_000742,
Spectrum4_001757,
Spectrum5_000614,
Lopac-E-7881,
Emodin, analytical standard,
NCIMech_000049,
Lopac0_000552,
BSPBio_002324,
KBioGR_002234,
KBioSS_002508,
MLS000563068,
MLS001066370,
MLS004257392,
MLS006011712,
DivK1c_006428,
SCHEMBL177689,
SPBio_000710,
LS-3,
MEGxp0_000460,
DTXSID5025231,
ACon1_001939,
BDBM11318,
CTK5B1649,
KBio1_001372,
KBio2_002500,
KBio2_005068,
KBio2_007636,
KBio3_001544,
KS-00000MGZ,
HMS2230K22,
HMS3261P05,
HMS3373B16,
HMS3655H22,
ACT03256,
BCP18372,
TNP00318,
ZINC3824868,
9, 1,3,8-trihydroxy-6-methyl-,
Tox21_202999,
Tox21_303218,
Tox21_500552,
BS0075,
CCG-35263,
CE-131,
CE0035,
GP5697,
LMPK13040008,
s2295,
SBB066133,
3-Methyl-1,8-trihydroxyanthraquinone,
4,7-Trihydroxy-2-methylanthraquinone,
AKOS003348641,
AC-1004,
CS-1412,
DB07715,
KS-5189,
LP00552,
MCULE-1083063386,
NSC-408120,
NSC-622947,
RP29615,
Anthraquinone,3,8-trihydroxy-6-methyl-,
SMP2_000211,
NCGC00015420-01,
NCGC00015420-02,
NCGC00015420-03,
NCGC00015420-04,
NCGC00015420-05,
NCGC00015420-06,
NCGC00015420-07,
NCGC00015420-08,
NCGC00015420-09,
NCGC00091540-01,
NCGC00091540-02,
NCGC00091540-03,
NCGC00091540-04,
NCGC00091540-05,
NCGC00257090-01,
NCGC00260544-01,
NCGC00261237-01,
1,3,8-Trihydroxy-6-methyl-anthraquinone,
ACM132796522,
AJ-45740,
AN-15367,
BC216225,
HY-14393,
M371,
NCI60_003906,
SC-19533,
ST055355,
AB0015178,
AB1010271,
AX8006309,
TR-018464,
6-methyl-1,3,8-tri-hydroxy-anthra-quinone,
E0500,
EU-0100552,
FT-0606539,
N1854,
ST24046678,
SW219906-1,
1,8-Trihydroxy-6-methyl-9,10-anthraquinone,
Emodin, from Frangula bark, >=90% (HPLC),
1,3,8-Tihydroxy-6-methyl-9,10-anthraquinone,
A-2578,
C10343,
E 7881,
J10081,
K00056,
Emodin; 6-Methyl-1,3,8-trihydroxyanthraquinone,
1,3, 8-Trihydroxy-6-methyl-9,10-anthraquinone,
1,3,8-Trihydroxy-6-methylanthra-9,10-quinone #,
1,6,8-trihydroxy-3-methylanthracene-9,10-dione,
518E821,
A828825,
Anthraquinone, 1,3,8-trihydroxy-6-methyl- (8CI),
I06-0539,
SR-01000075615-1,
SR-01000075615-6,
3-methyl-1,6,8-tris(oxidanyl)anthracene-9,10-dione,
BRD-K58685305-001-03-0,
1,3,8-Trihydroxy-6-methyl-9,10-anthracenedione, 9CI,
1,3,8-TRIHYDROXY-6-METHYL-9-10-ANTHRACENEDIONE,
Emodin, United States Pharmacopeia (USP) Reference Standard,
(RS)-2-(2,6-dioxopiperidin-3-yl)-1H-isoindole-1,3(2H)-dione,
120667-83-6,
thalidomide,
Alatinone,
Aloe emodin,
Aloe-emodin,
Emodin, Rheum,
Emodin, Frangula,
Emodin-d4,
D0U7OU,
C15H10O5,
CID3220,
KST-1B6328,
AR-1B6441,
ACN-029662,
C15-H10-O5,
1,6,8-Trihydroxy-3-methylanthraquinone,
4-08-00-03575 (Beilstein Handbook Reference),
A10348,
D004642,
Emodin, 95%, from Rheum palmatum L. - 1G 1g,
62284-79-1,
50-35-1,
60529-33-1,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.053g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.24g/mol |
| Monoisotopic Mass | 270.053g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 94.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
| Symbol: | |
| Hazard Class | |
| Hazard statements | H315-H319-H335 |
| Packing Group | |
| Precautionary statements | P261-P305+P351+P338 |
| UN Code |
| Chemical Name: | Batch Number: | |
| Chemical Structure: | CAS Registry No: | |
| Product ID: | ||
| Manufacture Date: | ||
| Storage Temperature: | ||
| Formula: | ||
| Molecular Weight: | ||
| Quantity: |
| Test: | Result: |

