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
- 38461
- Core Entity Id
- 64914
- Source Entity Count
- 1
- Preferred Name
- 1,4-dihydroxy-2-methoxy-7-methylanthracenequinone
- Name En
- Pubchem Id
- 12416403
- Smiles Canonical
- CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O
- Molecular Formula
- C16H12O5
- Molecular Weight
- 284.2670
- Inchikey
- IVJVOKCJFGMBTB-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O5/c1-7-3-4-8-9(5-7)15(19)13-12(14(8)18)10(17)6-11(21-2)16(13)20/h3-6,17,20H,1-2H3
- Isomeric Smiles
- CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O
- Cas Id
- Ob Score
- 21.8580
- Mol Logp
- 2.1902
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1,4-Dihydroxy-2-Methoxy-7-Methylanthracenequinone
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
1,4-Dihydroxy-2-Methoxy-7-Methylanthracenequinone
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
1,4-dihydroxy-2-methoxy-7-methylanthracenequinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,4-dihydroxy-2-methoxy-7-methylanthracenequinone
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
1,4-dihydroxy-2-methoxy-7-methylanthracenequinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1,4-dihydroxy-2-methoxy-7-methylanthracenequinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
1,4-Dihydroxy-3-methoxy-6-methylanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-Dihydroxy-3-methoxy-6-methylanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4-dihydroxy-2-methoxy-7-methylanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-dihydroxy-2-methoxy-7-methylanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
Austrocortinin
Role
alias
Source
HERB_v2
Preferred
No
Name
Austrocortinin
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1224808
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1224808
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL23199031
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL23199031
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,4-Dihydroxy-3-methoxy-6-methylanthraquinone1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dione1,4-dihydroxy-2-methoxy-7-methylanthraquinoneAustrocortininCHEMBL1224808SCHEMBL23199031
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001431
Npass
NPC311740
Tcmsp
MOL009494
Sym Map
SMIT10618
Pub Chem
12416403
Tcmbank
TCMBANKIN003346
Etcm Ingredient
1,4-dihydroxy-2-methoxy-7-methylanthracenequinone
Itcmdb Generated
ITX-INGREDIENT-6F56B2EF69D6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H12O5/c1-7-3-4-8-9(5-7)15(19)13-12(14(8)18)10(17)6-11(21-2)16(13)20/h3-6,17,20H,1-2H3
Mol Wt
284.267
Mol Log P
2.19022
Version
v1,v2
In Ch Ikey
IVJVOKCJFGMBTB-UHFFFAOYSA-N
Ob Score
21.8579787821.85797921.858
Suppress
0
Num Hdonors
2
Drug Likeness
0.669
Num Hacceptors
5
Isomeric Smiles
CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O
Molecule Weight
284.28
Canonical Smiles
CC1=CC2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)OC)O
Herb Alias Names
1,4-dihydroxy-2-methoxy-7-methylanthracene-9,10-dioneAustrocortinin1,4-Dihydroxy-3-methoxy-6-methylanthraquinoneCHEMBL1224808SCHEMBL231990311,4-dihydroxy-2-methoxy-7-methylanthraquinone
Molecular Weight
284.070
Molecular Weight
284.28
Molecular Formula
C16H12O5
Molecular Formula
C16H12O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.922
Quantitative Estimate Of Drug Likeness（Qed）
0.786