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
- 31970
- Core Entity Id
- 38725
- Source Entity Count
- 1
- Preferred Name
- Robustaquinone h
- Name En
- Pubchem Id
- 25201000
- Smiles Canonical
- COC1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC=C3)O)OC)OC)OC
- Molecular Formula
- C18H16O7
- Molecular Weight
- 344.3190
- Inchikey
- SRUJKEFCIXYWDT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H16O7/c1-22-15-11-12(16(23-2)18(25-4)17(15)24-3)14(21)10-8(13(11)20)6-5-7-9(10)19/h5-7,19H,1-4H3
- Isomeric Smiles
- COC1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC=C3)O)OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.2020
- Num H Donors
- 1
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.7760
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Robustaquinone H
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Robustaquinone H
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Robustaquinone h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Robustaquinone h
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
5-hydroxy-1,2,3,4-tetramethoxyanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-hydroxy-1,2,3,4-tetramethoxyanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
粗壮金鸡纳CU ZHUANG JIN JI NARobust Cinchona*5-hydroxy-1,2,3,4-tetramethoxyanthraquinone
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042372
Tcmid
18861
Pub Chem
25201000
Tcmbank
TCMBANKIN045053
Etcm Ingredient
Robustaquinone H
Itcmdb Generated
ITX-INGREDIENT-3086275DEC65
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H16O7/c1-22-15-11-12(16(23-2)18(25-4)17(15)24-3)14(21)10-8(13(11)20)6-5-7-9(10)19/h5-7,19H,1-4H3
Mol Wt
344.3190000000001
Mol Log P
2.202
In Ch Ikey
SRUJKEFCIXYWDT-UHFFFAOYSA-N
Tcm Name
粗壮金鸡纳
Tcm Name2
CU ZHUANG JIN JI NA
Mol2 Path
/TCM_database/2007_3d_all/18876.mol2
Reference
2276
Num Hdonors
1
Tcm Name En
Robust Cinchona*
Drug Likeness
0.776
Num Hacceptors
7
Isomeric Smiles
COC1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC=C3)O)OC)OC)OC
Canonical Smiles
COC1=C(C(=C(C2=C1C(=O)C3=C(C2=O)C(=CC=C3)O)OC)OC)OC
Herb Alias Names
5-hydroxy-1,2,3,4-tetramethoxyanthraquinone
Molecular Weight
344.090
Molecular Weight
344.3 g/mol
Molecular Formula
C18H16O7
Molecular Formula
C18H16O7
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.091
Quantitative Estimate Of Drug Likeness（Qed）
0.776