Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 12Ingredient: 1Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10958
- Core Entity Id
- 15343
- Source Entity Count
- 1
- Preferred Name
- Anthocyanins
- Name En
- Pubchem Id
- 14909454
- Smiles Canonical
- C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[Cl-]
- Molecular Formula
- C15H11ClO
- Molecular Weight
- 242.7050
- Inchikey
- GSGBDETVUFKCRJ-UHFFFAOYSA-M
- Inchi
- InChI=1S/C15H11O.ClH/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-11H;1H/q+1;/p-1
- Isomeric Smiles
- C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[Cl-]
- Cas Id
- Ob Score
- Mol Logp
- 1.3849
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anthocyanins
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Anthocyanins
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anthocyanins
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anthocyanins
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anthocyanins
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
13329-14-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
13329-14-1
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Phenyl-1-benzopyran-1-ium chloride
Role
alias
Source
HERB_v2
Preferred
No
Name
2-Phenyl-1-benzopyran-1-ium chloride
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenyl-1-benzopyrylium chloride
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-Phenyl-1-benzopyrylium chloride
Role
alias
Source
HERB_v2
Preferred
No
Name
2-phenylchromenylium
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-phenylchromenylium
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60928039
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60928039
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 236-371-2
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 236-371-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavyliumchlorid
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavyliumchlorid
Role
alias
Source
itcmdb_public
Preferred
No
Name
GSGBDETVUFKCRJ-UHFFFAOYSA-M
Role
alias
Source
HERB_v2
Preferred
No
Name
GSGBDETVUFKCRJ-UHFFFAOYSA-M
Role
alias
Source
itcmdb_public
Preferred
No
Name
NS00051551
Role
alias
Source
HERB_v2
Preferred
No
Name
NS00051551
Role
alias
Source
itcmdb_public
Preferred
No
Name
chloride
Role
alias
Source
HERB_v2
Preferred
No
Name
chloride
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
13329-14-12-Phenyl-1-benzopyran-1-ium chloride2-Phenyl-1-benzopyrylium chloride2-phenylchromenyliumDTXSID60928039EINECS 236-371-2FlavyliumchloridGSGBDETVUFKCRJ-UHFFFAOYSA-MNS00051551chloride
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016280
Tcmid
32684
Sym Map
SMIT22365
Pub Chem
14909454
Tcmbank
TCMBANKIN025909
Itcmdb Generated
ITX-INGREDIENT-41B0085B932F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H11O.ClH/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h1-11H;1H/q+1;/p-1
Mol Wt
242.705
Smiles
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[Cl-]
Mol Log P
1.3849
Version
v2
In Ch Ikey
GSGBDETVUFKCRJ-UHFFFAOYSA-M
Suppress
0
Num Hdonors
0
Drug Likeness
0.587
Num Hacceptors
0
Isomeric Smiles
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[Cl-]
Canonical Smiles
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[Cl-]
Herb Alias Names
2-Phenyl-1-benzopyrylium chloride13329-14-1EINECS 236-371-22-phenylchromenyliumchlorideFlavyliumchloridDTXSID60928039GSGBDETVUFKCRJ-UHFFFAOYSA-M2-Phenyl-1-benzopyran-1-ium chlorideNS00051551
Molecular Formula
C15H11ClO
Molecular Formula
C15H11ClO
Num Rotatable Bonds
1