Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 12Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 31442
- Core Entity Id
- 38136
- Source Entity Count
- 1
- Preferred Name
- Quinalizarin
- Name En
- Pubchem Id
- 5004
- Smiles Canonical
- C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
- Molecular Formula
- C14H8O6
- Molecular Weight
- 272.2120
- Inchikey
- VBHKTXLEJZIDJF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
- Isomeric Smiles
- C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.2844
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.3620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Quinalizarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Quinalizarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
quinalizarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,2,5,8-Tetrahydroxyanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,2,5,8-Tetrahydroxyanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,5,8-tetrahydroxyanthracene-9,10-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,2,5,8-tetrahydroxyanthracene-9,10-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4,5,6-Tetrahydroxyanthraquinone
Role
alias
Source
HERB_v2
Preferred
No
Name
1,4,5,6-Tetrahydroxyanthraquinone
Role
alias
Source
itcmdb_public
Preferred
No
Name
81-61-8
Role
alias
Source
HERB_v2
Preferred
No
Name
81-61-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alizarinbordeaux
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alizarinbordeaux
Role
alias
Source
HERB_v2
Preferred
No
Name
Alizarine Bordeaux
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alizarine Bordeaux
Role
alias
Source
HERB_v2
Preferred
No
Name
Alizarine Bordeaux B
Role
alias
Source
HERB_v2
Preferred
No
Name
Alizarine Bordeaux B
Role
alias
Source
itcmdb_public
Preferred
No
Name
Khinalizarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Khinalizarin
Role
alias
Source
HERB_v2
Preferred
No
Name
Quinalizarine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Quinalizarine
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,2,5,8-Tetrahydroxyanthraquinone1,2,5,8-tetrahydroxyanthracene-9,10-dione1,4,5,6-Tetrahydroxyanthraquinone81-61-8AlizarinbordeauxAlizarine BordeauxAlizarine Bordeaux BKhinalizarinQuinalizarine
Cross References
Trusted external identifiers retained for this final record.
Hit
C0356
Herb
HBIN041741
Npass
NPC147418
Tcm Id
18756
Pub Chem
5004
Tcmbank
TCMBANKIN004098
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C14H8O6/c15-6-3-4-7(16)11-10(6)12(18)5-1-2-8(17)13(19)9(5)14(11)20/h1-4,15-17,19H
Mol Wt
272.212
Smiles
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
Mol Log P
1.284400000000001
In Ch Ikey
VBHKTXLEJZIDJF-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.362
Num Hacceptors
6
Isomeric Smiles
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
Canonical Smiles
C1=CC(=C(C2=C1C(=O)C3=C(C=CC(=C3C2=O)O)O)O)O
Herb Alias Names
81-61-81,2,5,8-TetrahydroxyanthraquinoneAlizarinbordeaux1,2,5,8-tetrahydroxyanthracene-9,10-dioneAlizarine Bordeaux BKhinalizarinQuinalizarineAlizarine Bordeaux1,4,5,6-Tetrahydroxyanthraquinone
Molecular Weight
272.21 g/mol
Molecular Formula
C14H8O6
Molecular Formula
C14H8O6
Num Rotatable Bonds
0