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
- 39546
- Core Entity Id
- 74577
- Source Entity Count
- 1
- Preferred Name
- 1-hydroxy-7-hydroxymethylanthracenequinone
- Name En
- Pubchem Id
- 86089730
- Smiles Canonical
- C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3)CO
- Molecular Formula
- C15H10O4
- Molecular Weight
- 254.2410
- Inchikey
- USJFNACPAHQRBS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O4/c16-7-8-4-5-9-11(6-8)15(19)13-10(14(9)18)2-1-3-12(13)17/h1-6,16-17H,7H2
- Isomeric Smiles
- C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3)CO
- Cas Id
- Ob Score
- 9.3260
- 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-7-Hydroxymethylanthracenequinone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1-Hydroxy-7-Hydroxymethylanthracenequinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1-hydroxy-7-hydroxymethylanthracenequinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1-hydroxy-7-hydroxymethylanthracenequinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-hydroxy-7-hydroxymethylanthracenequinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1-hydroxy-7-hydroxymethylanthracenequinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-hydroxy-7-hydroxymethyl anthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxy-7-hydroxymethyl anthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-hydroxy-7-hydroxymethyl anthraquinone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002643
Tcmsp
MOL009505
Sym Map
SMIT10627
Pub Chem
86089730
Tcmbank
TCMBANKIN001075
Etcm Ingredient
1-hydroxy-7-hydroxymethylanthracenequinone
Itcmdb Generated
ITX-INGREDIENT-7BC4F6434855
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)15(19)13-10(14(9)18)2-1-3-12(13)17/h1-6,16-17H,7H2
Mol Wt
254.241
Mol Log P
1.659899999999999
Version
v1,v2
In Ch Ikey
USJFNACPAHQRBS-UHFFFAOYSA-N
Ob Score
9.3269.3260349.32603412
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=CC(=C3)CO
Molecule Weight
254.25
Canonical Smiles
C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=CC(=C3)CO
Herb Alias Names
1-hydroxy-7-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