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
- 31964
- Core Entity Id
- 38718
- Source Entity Count
- 1
- Preferred Name
- Robustaquinone b
- Name En
- Pubchem Id
- 25200882
- Smiles Canonical
- CC1=CC(=C2C(=C1O)C(=O)C3=CC(=C(C=C3C2=O)OC)OC)O
- Molecular Formula
- C17H14O6
- Molecular Weight
- 314.2930
- Inchikey
- DQVJBPZRWJRGJO-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H14O6/c1-7-4-10(18)13-14(15(7)19)17(21)9-6-12(23-3)11(22-2)5-8(9)16(13)20/h4-6,18-19H,1-3H3
- Isomeric Smiles
- CC1=CC(=C2C(=C1O)C(=O)C3=CC(=C(C=C3C2=O)OC)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.1988
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Robustaquinone b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Robustaquinone b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
robustaquinone b
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1-hydroxy-6,7-dimethoxy-2-methylanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1-hydroxy-6,7-dimethoxy-2-methylanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1-hydroxy-6,7-dimethoxy-2-methylanthraquinone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042366
Tcmid
18855
Pub Chem
25200882
Tcmbank
TCMBANKIN037198
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H14O6/c1-7-4-10(18)13-14(15(7)19)17(21)9-6-12(23-3)11(22-2)5-8(9)16(13)20/h4-6,18-19H,1-3H3
Mol Wt
314.293
Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=CC(=C(C=C3C2=O)OC)OC)O
Mol Log P
2.19882
In Ch Ikey
DQVJBPZRWJRGJO-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/18870.mol2
Reference
2276
Num Hdonors
2
Drug Likeness
0.704
Num Hacceptors
6
Isomeric Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=CC(=C(C=C3C2=O)OC)OC)O
Canonical Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=CC(=C(C=C3C2=O)OC)OC)O
Herb Alias Names
1-hydroxy-6,7-dimethoxy-2-methylanthraquinone
Molecular Formula
C17H14O6
Molecular Formula
C17H14O6
Num Rotatable Bonds
2