Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 39524
- Core Entity Id
- 74396
- Source Entity Count
- 1
- Preferred Name
- 1-hydroxy-2,3-dimethoxy-7-methyl-9,10-anthraquinone
- Name En
- Pubchem Id
- 11637974
- Smiles Canonical
- CC1=CC2=C(C=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)OC)OC
- Molecular Formula
- C17H14O5
- Molecular Weight
- 298.2940
- Inchikey
- JJRFFTIWGDNKLS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O5/c1-8-4-5-9-10(6-8)15(19)13-11(14(9)18)7-12(21-2)17(22-3)16(13)20/h4-7,20H,1-3H3
- Isomeric Smiles
- CC1=CC2=C(C=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.4932
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
1-Hydroxy-2,3-dimethoxy-7-methyl-9,10-anthraquinone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-hydroxy-2,3-dimethoxy-7-methyl-9,10-anthraquinone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
1-hydroxy-2,3-dimethoxy-7-methyl-9,10-anthraquinone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
南山花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NAN SHAN HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Furstamen Prismatomeris
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1-hydroxy-2,3-dimethoxy-7-methylanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1-hydroxy-2,3-dimethoxy-7-methylanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
872360-75-3
Role
alias
Source
HERB_v2
Preferred
No
Name
872360-75-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
HDM-Anthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
HDM-Anthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
南山花NAN SHAN HUAFurstamen Prismatomeris1-hydroxy-2,3-dimethoxy-7-methylanthracene-9,10-dione872360-75-3HDM-Anthraquinone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN002615
Tcmid
10031
Pub Chem
11637974
Tcmbank
TCMBANKIN049291
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O5/c1-8-4-5-9-10(6-8)15(19)13-11(14(9)18)7-12(21-2)17(22-3)16(13)20/h4-7,20H,1-3H3
Mol Wt
298.294
Mol Log P
2.493220000000001
In Ch Ikey
JJRFFTIWGDNKLS-UHFFFAOYSA-N
Tcm Name
南山花
Tcm Name2
NAN SHAN HUA
Mol2 Path
/TCM_database/2007_3d_all/10032.mol2
Reference
4521
Num Hdonors
1
Tcm Name En
Furstamen Prismatomeris
Drug Likeness
0.787
Num Hacceptors
5
Isomeric Smiles
CC1=CC2=C(C=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)OC)OC
Canonical Smiles
CC1=CC2=C(C=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)OC)OC
Herb Alias Names
1-hydroxy-2,3-dimethoxy-7-methylanthracene-9,10-dioneHDM-Anthraquinone872360-75-3
Molecular Weight
298.29 g/mol
Molecular Formula
C17H14O5
Num Rotatable Bonds
2