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
- 31968
- Core Entity Id
- 38723
- Source Entity Count
- 1
- Preferred Name
- Robustaquinone f
- Name En
- Pubchem Id
- 25200969
- Smiles Canonical
- COC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O
- Molecular Formula
- C15H10O7
- Molecular Weight
- 302.2380
- Inchikey
- ZAFTVWGDFRXJAF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H10O7/c1-22-15-8(18)4-5-9(14(15)21)13(20)11-7(17)3-2-6(16)10(11)12(5)19/h2-4,16-18,21H,1H3
- Isomeric Smiles
- COC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2930
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Robustaquinone F
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Robustaquinone f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Robustaquinone f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
robustaquinone f
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,3,5,8-tetrahydroxy-2-methoxyanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,5,8-tetrahydroxy-2-methoxyanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,3,5,8-tetrahydroxy-2-methoxyanthraquinone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042370
Tcmid
18859
Pub Chem
25200969
Tcmbank
TCMBANKIN044782
Etcm Ingredient
Robustaquinone F
Itcmdb Generated
ITX-INGREDIENT-DBC40D539477
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H10O7/c1-22-15-8(18)4-5-9(14(15)21)13(20)11-7(17)3-2-6(16)10(11)12(5)19/h2-4,16-18,21H,1H3
Mol Wt
302.2379999999999
Smiles
COC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O
Mol Log P
1.293
In Ch Ikey
ZAFTVWGDFRXJAF-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/18874.mol2
Reference
2276
Num Hdonors
4
Drug Likeness
0.499
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O
Canonical Smiles
COC1=C(C=C2C(=C1O)C(=O)C3=C(C=CC(=C3C2=O)O)O)O
Herb Alias Names
1,3,5,8-tetrahydroxy-2-methoxyanthraquinone
Molecular Weight
302.040
Molecular Weight
302.23 g/mol
Molecular Formula
C15H10O7
Molecular Formula
C15H10O7
Molecular Formula
C15H10O7
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.868
Quantitative Estimate Of Drug Likeness（Qed）
0.590