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
- 31967
- Core Entity Id
- 38722
- Source Entity Count
- 1
- Preferred Name
- Robustaquinone e
- Name En
- Pubchem Id
- 25202353
- Smiles Canonical
- COC1=C(C(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O)OC)[O-]
- Molecular Formula
- C16H11O7-
- Molecular Weight
- 315.2570
- Inchikey
- DGUUJRSNOLQLSU-UHFFFAOYSA-M
- Inchi
- InChI=1S/C16H12O7/c1-22-9-5-6-10(16(23-2)14(9)20)15(21)12-8(18)4-3-7(17)11(12)13(6)19/h3-5,17-18,20H,1-2H3/p-1
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O)OC)[O-]
- Cas Id
- Ob Score
- Mol Logp
- 0.9640
- Num H Donors
- 2
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Robustaquinone E
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Robustaquinone E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Robustaquinone e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Robustaquinone e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
粗壮金鸡纳
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CU ZHUANG JIN JI NA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Robust Cinchona*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2,5,8-trihydroxy-1,3-dimethoxyanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
2,5,8-trihydroxy-1,3-dimethoxyanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
粗壮金鸡纳CU ZHUANG JIN JI NARobust Cinchona*2,5,8-trihydroxy-1,3-dimethoxyanthraquinone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042369
Tcmid
18858
Pub Chem
2520235325202354
Tcmbank
TCMBANKIN040142
Etcm Ingredient
Robustaquinone E
Itcmdb Generated
ITX-INGREDIENT-2772FBE3C7E1
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H12O7/c1-22-9-5-6-10(16(23-2)14(9)20)15(21)12-8(18)4-3-7(17)11(12)13(6)19/h3-5,17-18,20H,1-2H3/p-1
Mol Wt
315.257
Mol Log P
0.9639999999999995
In Ch Ikey
DGUUJRSNOLQLSU-UHFFFAOYSA-M
Tcm Name
粗壮金鸡纳
Tcm Name2
CU ZHUANG JIN JI NA
Mol2 Path
/TCM_database/2007_3d_all/18873.mol2
Reference
2276
Num Hdonors
2
Tcm Name En
Robust Cinchona*
Drug Likeness
0.677
Num Hacceptors
7
Isomeric Smiles
COC1=C(C(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O)OC)[O-]
Canonical Smiles
COC1=C(C(=C2C(=C1)C(=O)C3=C(C=CC(=C3C2=O)O)O)OC)[O-]
Herb Alias Names
2,5,8-trihydroxy-1,3-dimethoxyanthraquinone
Molecular Weight
316.060
Molecular Weight
316.26 g/mol
Molecular Formula
C16H12O7
Molecular Formula
C16H11O7-
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.874
Quantitative Estimate Of Drug Likeness（Qed）
0.725