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: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 38263
- Core Entity Id
- 63237
- Source Entity Count
- 1
- Preferred Name
- 1,3,6-trihydroxy-2-methoxy-9,10-anthraquinone
- Name En
- Pubchem Id
- 11659239
- Smiles Canonical
- COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O
- Molecular Formula
- C15H10O6
- Molecular Weight
- 286.2390
- Inchikey
- XUHCTZUMZGBPRV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O6/c1-21-15-10(17)5-9-11(14(15)20)13(19)7-3-2-6(16)4-8(7)12(9)18/h2-5,16-17,20H,1H3
- Isomeric Smiles
- COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O
- Cas Id
- Ob Score
- 18.6196
- Mol Logp
- 1.5874
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6270
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,3,6-Trihydroxy-2-Methoxy-9,10-Anthraquinone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,3,6-Trihydroxy-2-Methoxy-9,10-Anthraquinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,3,6-trihydroxy-2-methoxy-9,10-anthraquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,6-trihydroxy-2-methoxy-9,10-anthraquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,3,6-trihydroxy-2-methoxy-9,10-anthraquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,3,6-trihydroxy-2-methoxy-9,10-anthraquinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,3,6-trihydroxy-2-methoxy-anthracene-9,10-dione
Role
alias
Source
TCMBank
Preferred
No
Name
1,3,6-trihydroxy-2-methoxyanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,6-trihydroxy-2-methoxyanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,6-trihydroxy-2-methoxyanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,6-trihydroxy-2-methoxyanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-methoxy-1,3,6-trihydroxyanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2-methoxy-1,3,6-trihydroxyanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL251908
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL251908
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3,6-trihydroxy-2-methoxy-anthracene-9,10-dione1,3,6-trihydroxy-2-methoxyanthracene-9,10-dione1,3,6-trihydroxy-2-methoxyanthraquinone2-methoxy-1,3,6-trihydroxyanthraquinoneCHEMBL251908
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001091
Npass
NPC149889
Tcmsp
MOL009517
Sym Map
SMIT10637
Pub Chem
11659239
Tcmbank
TCMBANKIN023017
Etcm Ingredient
1,3,6-trihydroxy-2-methoxy-9,10-anthraquinone
Itcmdb Generated
ITX-INGREDIENT-5B6845D067ED
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O6/c1-21-15-10(17)5-9-11(14(15)20)13(19)7-3-2-6(16)4-8(7)12(9)18/h2-5,16-17,20H,1H3
Mol Wt
286.239
Mol Log P
1.5874
Version
v1,v2
In Ch Ikey
XUHCTZUMZGBPRV-UHFFFAOYSA-N
Ob Score
18.61958518.6195851318.62
Suppress
0
Num Hdonors
3
Drug Likeness
0.627
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O
Molecule Weight
286.25
Canonical Smiles
COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O
Herb Alias Names
1,3,6-trihydroxy-2-methoxyanthraquinone1,3,6-trihydroxy-2-methoxyanthracene-9,10-dioneCHEMBL2519082-methoxy-1,3,6-trihydroxyanthraquinone
Molecular Weight
286.050
Molecular Weight
286.25
Molecular Formula
C15H10O6
Molecular Formula
C15H10O6
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.597
Quantitative Estimate Of Drug Likeness（Qed）
0.627