Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 6Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39099
- Core Entity Id
- 70688
- Source Entity Count
- 1
- Preferred Name
- 1,8-dihydroxy-2-methylanthraquinone
- Name En
- Pubchem Id
- 11253808
- Smiles Canonical
- CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O
- Molecular Formula
- C15H10O4
- Molecular Weight
- 254.2410
- Inchikey
- OGURMTXRUQGVMS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O4/c1-7-5-6-9-12(13(7)17)15(19)11-8(14(9)18)3-2-4-10(11)16/h2-6,16-17H,1H3
- Isomeric Smiles
- CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1816
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,8-Dihydroxy-2-Methylanthraquinone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,8-Dihydroxy-2-Methylanthraquinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,8-Dihydroxy-2-methylanthraquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,8-dihydroxy-2-methylanthraquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,8-dihydroxy-2-methylanthraquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,8-dihydroxy-2-methylanthraquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,8-Dihydroxy-2-methyl-anthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,8-Dihydroxy-2-methyl-anthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,8-dihydroxy-2-methylanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,8-dihydroxy-2-methylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
34425-60-0
Role
alias
Source
HERB_v2
Preferred
No
Name
34425-60-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50005890
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50005890
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL40849
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL40849
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30460239
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30460239
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19461991
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL19461991
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,8-Dihydroxy-2-methyl-anthraquinone1,8-dihydroxy-2-methylanthracene-9,10-dione34425-60-0BDBM50005890CHEMBL40849DTXSID30460239SCHEMBL19461991
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002106
Tcmid
6016
Sym Map
SMIT20160
Pub Chem
11253808
Tcmbank
TCMBANKIN042796
Etcm Ingredient
1,8-Dihydroxy-2-methylanthraquinone
Itcmdb Generated
ITX-INGREDIENT-57879700DCC1ITX-INGREDIENT-DF480765FCCB
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O4/c1-7-5-6-9-12(13(7)17)15(19)11-8(14(9)18)3-2-4-10(11)16/h2-6,16-17H,1H3
Mol Wt
254.241
Smiles
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O
Mol Log P
2.181620000000001
Version
v2
In Ch Ikey
OGURMTXRUQGVMS-UHFFFAOYSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/06017.mol2
Reference
4369
Num Hdonors
2
Drug Likeness
0.644
Num Hacceptors
4
Isomeric Smiles
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O
Canonical Smiles
CC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C(=CC=C3)O)O
Herb Alias Names
CHEMBL4084934425-60-01,8-dihydroxy-2-methylanthracene-9,10-dioneSCHEMBL19461991DTXSID30460239BDBM500058901,8-Dihydroxy-2-methyl-anthraquinone
Molecular Weight
254.060
Molecular Weight
254.24 g/mol
Molecular Formula
C15H10O4
Molecular Formula
C15H10O4
Molecular Formula
C15H10O4
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.522
Quantitative Estimate Of Drug Likeness（Qed）
0.644