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: 1Meta-analysis: 12Target: 12Links: 36
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10953
- Core Entity Id
- 15338
- Source Entity Count
- 1
- Preferred Name
- Anthocyanin
- Name En
- Pubchem Id
- 145858
- Smiles Canonical
- C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O
- Molecular Formula
- C15H11O+
- Molecular Weight
- 207.2520
- Inchikey
- NWKFECICNXDNOQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1
- Isomeric Smiles
- C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2
- Cas Id
- 84082-34-8
- Ob Score
- 45.5970
- Mol Logp
- 4.3809
- Num H Donors
- 0
- Num H Acceptors
- 0
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anthocyanidin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Anthocyanidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anthocyanidin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Anthocyanidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anthocyanin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Anthocyanin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anthocyanin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
anthocyanidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
11029-12-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
11029-12-2
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
Anthocyanidin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthocyanidin
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthocyanidins
Role
alias
Source
HERB_v2
Preferred
No
Name
Anthocyanidins
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthocyanins, grape
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthocyanins, grape
Role
alias
Source
HERB_v2
Preferred
No
Name
Enocianina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Enocianina
Role
alias
Source
HERB_v2
Preferred
No
Name
Enocyanin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Enocyanin
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavylium
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavylium
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavylium ion
Role
alias
Source
HERB_v2
Preferred
No
Name
Flavylium ion
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oenocyanin
Role
alias
Source
HERB_v2
Preferred
No
Name
Oenocyanin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anthocyan
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
anthocyan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
anthocyanin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Anthocyanidin11029-12-22-phenylchromenyliumAnthocyanidinsAnthocyanins, grapeEnocianinaEnocyaninFlavyliumFlavylium ionOenocyaninAnthocyan
Cross References
Trusted external identifiers retained for this final record.
Cas
11029-12-284082-34-8
Herb
HBIN016273HBIN016275HBIN016272HBIN016274
Tcmid
24151326683266935485
Tcmsp
MOL000001MOL006838
Sym Map
SMIT00001SMIT08392SMIT22361
Tcm Id
1007211447123101631767451144811449114501231112312123191232015163151641763617637176381764317644
Pub Chem
145858
Tcmbank
TCMBANKIN030333TCMBANKIN058315
Itcmdb Generated
ITX-INGREDIENT-7522E5011C37
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H11O/c1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15/h1-11H/q+1
Mol Wt
207.252
Cas Id
84082-34-8
Smiles
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2.[O-]Cl(=O)(=O)=O
Mol Log P
4.380900000000002
Version
v1,v2
In Ch Ikey
NWKFECICNXDNOQ-UHFFFAOYSA-N
Ob Score
45.59745.5973916545.59739255.34655.34647933
Suppress
0
Num Hdonors
0
Drug Likeness
0.539
Num Hacceptors
0
Isomeric Smiles
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2
Molecule Weight
207.26251.22
Canonical Smiles
C1=CC=C(C=C1)C2=[O+]C3=CC=CC=C3C=C2
Herb Alias Names
FlavyliumEnocyanin2-phenylchromenylium11029-12-2Anthocyanins, grapeAnthocyanidinsEnocianinaOenocyaninFlavylium ion
Molecular Weight
251.22
Molecular Formula
Cyanidin: C15H11O6Cl; Peonidin: C16H13O6Cl; Malvidin: C17H15O7Cl; Delphinidin: C15H11O7Cl; Petunidin: C16H13O7Cl; Pelargonidin: C15H11O5Cl or C15H11O+
Molecular Formula
C15H11O+
Num Rotatable Bonds
1