Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Ingredient: 1Target: 2Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39525
- Core Entity Id
- 74407
- Source Entity Count
- 1
- Preferred Name
- 1-hydroxy-2,3-dimethyl-9,10-anthraquinone
- Name En
- Pubchem Id
- 1382
- Smiles Canonical
- CC1=CC2=C(C(=C1C)O)C(=O)C3=CC=CC=C3C2=O
- Molecular Formula
- C16H12O3
- Molecular Weight
- 252.2690
- Inchikey
- GARRKQYRNXWAAS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O3/c1-8-7-12-13(14(17)9(8)2)16(19)11-6-4-3-5-10(11)15(12)18/h3-7,17H,1-2H3
- Isomeric Smiles
- CC1=CC2=C(C(=C1C)O)C(=O)C3=CC=CC=C3C2=O
- Cas Id
- 147088-69-5
- Ob Score
- 18.4690
- Mol Logp
- 2.7844
- Num H Donors
- 1
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Hydroxy-2,3-Dimethyl-9,10-Anthraquinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-hydroxy-2,3-dimethyl-9,10-anthraquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-hydroxy-2,3-dimethyl-9,10-anthraquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-hydroxy-2,3-dimethyl-9,10-anthraquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-HYDROXY-2,3-DIMETHYL-ANTHRAQUINONE
Role
alias
Source
HERB_v2
Preferred
No
Name
1-HYDROXY-2,3-DIMETHYL-ANTHRAQUINONE
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxy-2,3-dimethylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxy-2,3-dimethylanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxyl-2,3-dimethylanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxyl-2,3-dimethylanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
147088-69-5
Role
alias
Source
HERB_v2
Preferred
No
Name
147088-69-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
61231-62-7
Role
alias
Source
HERB_v2
Preferred
No
Name
61231-62-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
9,10-Anthracenedione, 1-hydroxydimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
9,10-Anthracenedione, 1-hydroxydimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS024341724
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS024341724
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00274305
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID00274305
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxy-2,3-dimethylanthraquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
1-HYDROXY-2,3-DIMETHYL-ANTHRAQUINONE1-hydroxy-2,3-dimethylanthracene-9,10-dione1-hydroxyl-2,3-dimethylanthraquinone147088-69-561231-62-79,10-Anthracenedione, 1-hydroxydimethyl-AKOS024341724DTXSID002743051-hydroxy-2,3-dimethylanthraquinone
Cross References
Trusted external identifiers retained for this final record.
Cas
147088-69-5
Herb
HBIN002616HBIN002617
Tcmsp
MOL009501
Sym Map
SMIT10623
Tcm Id
9184
Pub Chem
1382
Tcmbank
TCMBANKIN059937
Etcm Ingredient
1-hydroxy-2,3-dimethyl-9,10-anthraquinone
Itcmdb Generated
ITX-INGREDIENT-461D1F761873
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H12O3/c1-8-7-12-13(14(17)9(8)2)16(19)11-6-4-3-5-10(11)15(12)18/h3-7,17H,1-2H3
Mol Wt
252.269
Cas Id
147088-69-5
Smiles
CC1=CC2=C(C(=C1C)O)C(=O)C3=CC=CC=C3C2=O
Mol Log P
2.784440000000001
Version
v1,v2
In Ch Ikey
GARRKQYRNXWAAS-UHFFFAOYSA-N
Ob Score
18.46918.46928147
Suppress
0
Num Hdonors
1
Drug Likeness
0.669
Num Hacceptors
3
Isomeric Smiles
CC1=CC2=C(C(=C1C)O)C(=O)C3=CC=CC=C3C2=O
Molecule Weight
252.28
Canonical Smiles
CC1=CC2=C(C(=C1C)O)C(=O)C3=CC=CC=C3C2=O
Herb Alias Names
1-hydroxy-2,3-dimethylanthracene-9,10-dione147088-69-561231-62-79,10-Anthracenedione, 1-hydroxydimethyl-1-HYDROXY-2,3-DIMETHYL-ANTHRAQUINONEDTXSID002743051-hydroxyl-2,3-dimethylanthraquinoneAKOS024341724
Molecular Weight
252.080
Molecular Weight
252.26
Molecular Formula
C16H12O3
Molecular Formula
C16H12O3
Molecular Formula
C16H12O3
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.900
Quantitative Estimate Of Drug Likeness（Qed）
0.423