Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 13Links: 14
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39544
- Core Entity Id
- 74561
- Source Entity Count
- 1
- Preferred Name
- 1-hydroxy-6-hydroxymethylanthracenequinone
- Name En
- Pubchem Id
- 44595036
- Smiles Canonical
- C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3)CO
- Molecular Formula
- C15H10O4
- Molecular Weight
- 254.2410
- Inchikey
- DGGHVFUGMGGLON-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O4/c16-7-8-4-5-9-11(6-8)14(18)10-2-1-3-12(17)13(10)15(9)19/h1-6,16-17H,7H2
- Isomeric Smiles
- C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3)CO
- Cas Id
- Ob Score
- 81.7650
- Mol Logp
- 1.6599
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6920
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Hydroxy-6-Hydroxymethylanthracenequinone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Hydroxy-6-Hydroxymethylanthracenequinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-hydroxy-6-hydroxymethylanthracenequinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-hydroxy-6-hydroxymethylanthracenequinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-hydroxy-6-hydroxymethylanthracenequinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-hydroxy-6-hydroxymethylanthracenequinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-hydroxy-6-hydroxymethyl anthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxy-6-hydroxymethyl anthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthraquinone base + 1O, MeOH
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthraquinone base + 1O, MeOH
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-hydroxy-6-hydroxymethyl anthraquinoneAnthraquinone base + 1O, MeOH
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002641
Tcmsp
MOL009504
Sym Map
SMIT10626
Pub Chem
44595036
Tcmbank
TCMBANKIN028720
Etcm Ingredient
1-hydroxy-6-hydroxymethylanthracenequinone
Itcmdb Generated
ITX-INGREDIENT-E06D4D4C6DBC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H10O4/c16-7-8-4-5-9-11(6-8)14(18)10-2-1-3-12(17)13(10)15(9)19/h1-6,16-17H,7H2
Mol Wt
254.241
Mol Log P
1.659899999999999
Version
v1,v2
In Ch Ikey
DGGHVFUGMGGLON-UHFFFAOYSA-N
Ob Score
81.76581.7654817781.765482
Suppress
0
Num Hdonors
2
Drug Likeness
0.692
Num Hacceptors
4
Isomeric Smiles
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3)CO
Molecule Weight
254.25
Canonical Smiles
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3)CO
Herb Alias Names
Anthraquinone base + 1O, MeOH1-hydroxy-6-hydroxymethyl anthraquinone
Molecular Weight
254.060
Molecular Weight
254.25
Molecular Formula
C15H10O4
Molecular Formula
C15H10O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.839
Quantitative Estimate Of Drug Likeness（Qed）
0.354