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
- 31969
- Core Entity Id
- 38724
- Source Entity Count
- 1
- Preferred Name
- Robustaquinone g
- Name En
- Pubchem Id
- 25200478
- Smiles Canonical
- CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C4=C(C(=C3OC)OC)OCO4)O
- Molecular Formula
- C18H14O8
- Molecular Weight
- 358.3020
- Inchikey
- JKXHMVHBYLVNJU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H14O8/c1-6-4-7(19)8-9(12(6)20)14(22)10-11(13(8)21)16-18(26-5-25-16)17(24-3)15(10)23-2/h4,19-20H,5H2,1-3H3
- Isomeric Smiles
- CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C4=C(C(=C3OC)OC)OCO4)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9275
- Num H Donors
- 2
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Robustaquinone G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Robustaquinone G
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Robustaquinone g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Robustaquinone g
Role
preferred
Source
HERB_v2
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
1,4-dihydroxy-7,8-dimethoxy-2-methyl-5,6-methylenedioxyanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,4-dihydroxy-7,8-dimethoxy-2-methyl-5,6-methylenedioxyanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
231290-70-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
231290-70-3
Role
alias
Source
HERB_v2
Preferred
No
Name
7,10-dihydroxy-4,5-dimethoxy-8-methylnaphtho(3,2-g)(1,3)benzodioxole-6,11-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
7,10-dihydroxy-4,5-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione
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*1,4-dihydroxy-7,8-dimethoxy-2-methyl-5,6-methylenedioxyanthraquinone231290-70-37,10-dihydroxy-4,5-dimethoxy-8-methylnaphtho(3,2-g)(1,3)benzodioxole-6,11-dione7,10-dihydroxy-4,5-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN042371
Tcmid
18860
Pub Chem
25200478
Tcmbank
TCMBANKIN043430
Etcm Ingredient
Robustaquinone G
Itcmdb Generated
ITX-INGREDIENT-8E5C9175BCAC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H14O8/c1-6-4-7(19)8-9(12(6)20)14(22)10-11(13(8)21)16-18(26-5-25-16)17(24-3)15(10)23-2/h4,19-20H,5H2,1-3H3
Mol Wt
358.3020000000001
Mol Log P
1.927519999999999
In Ch Ikey
JKXHMVHBYLVNJU-UHFFFAOYSA-N
Tcm Name
粗壮金鸡纳
Tcm Name2
CU ZHUANG JIN JI NA
Mol2 Path
/TCM_database/2007_3d_all/18875.mol2
Reference
2276
Num Hdonors
2
Tcm Name En
Robust Cinchona*
Drug Likeness
0.669
Num Hacceptors
8
Isomeric Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C4=C(C(=C3OC)OC)OCO4)O
Canonical Smiles
CC1=CC(=C2C(=C1O)C(=O)C3=C(C2=O)C4=C(C(=C3OC)OC)OCO4)O
Herb Alias Names
1,4-dihydroxy-7,8-dimethoxy-2-methyl-5,6-methylenedioxyanthraquinone7,10-dihydroxy-4,5-dimethoxy-8-methylnaphtho(3,2-g)(1,3)benzodioxole-6,11-dione7,10-dihydroxy-4,5-dimethoxy-8-methylnaphtho[3,2-g][1,3]benzodioxole-6,11-dione231290-70-3
Molecular Weight
358.070
Molecular Weight
358.3 g/mol
Molecular Formula
C18H14O8
Molecular Formula
C18H14O8
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.778
Quantitative Estimate Of Drug Likeness（Qed）
0.787