Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 12585
- Core Entity Id
- 17158
- Source Entity Count
- 1
- Preferred Name
- Beta-vicianosyl-3-quercetin
- Name En
- Pubchem Id
- 163004848
- Smiles Canonical
- O=c1c(O[C@H]2O[C@H](CO[C@H]3OC[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12
- Molecular Formula
- C26H28O16
- Molecular Weight
- 596.4900
- Inchikey
- YNMFDPCLPIMRFD-XZIVWRMISA-N
- Inchi
- InChI=1S/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2/t13-,15+,17-,18+,20-,21+,22+,25+,26+/m0/s1
- Isomeric Smiles
- Cas Id
- 23284-18-6
- Ob Score
- 7.2197
- Mol Logp
- -1.7000
- Num H Donors
- 10
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 266.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Beta-Vicianosyl-3-Quercetin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Beta-Vicianosyl-3-Quercetin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Beta-vicianosyl-3-quercetin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Beta-vicianosyl-3-quercetin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
beta-Vicianosyl-3-quercetin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
beta-Vicianosyl-3-quercetin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
莕菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XING CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shield Floatingheart
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
beta-vicianosyl-3-quercetin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
莕菜XING CAIShield Floatingheart
Cross References
Trusted external identifiers retained for this final record.
Cas
23284-18-6
Herb
HBIN018351
Tcmid
32198
Tcmsp
MOL008905
Sym Map
SMIT01077
Tcmbank
TCMBANKIN046009
Etcm Ingredient
beta-Vicianosyl-3-quercetin
Itcmdb Generated
ITX-INGREDIENT-47E58884162D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Cas Id
23284-18-6
Smiles
C1([H])([H])O[C@]([H])(OC([H])([H])[C@@]2([H])O[C@]([H])(OC3=C(Oc(c([H])c(O[H])c([H])c4O[H])c4C3=O)c5c([H])c(O[H])c(O[H])c([H])c5[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]2([H])O[H])[C@]([H])(O[H])[C@@](
[H])(O[H])[C@@]1([H])O[H]
Version
v1,v2
Ob Score
7.2197307267.2197317.22
Suppress
0
Tcm Name
莕菜
Tcm Name2
XING CAI
Mol2 Path
/TCM_database/2003_3d_all/8860.mol2
Reference
6
Tcm Name En
Shield Floatingheart
Molecule Weight
596.54
Molecular Weight
596.140
Molecular Weight
596.49
Molecule Formula
C26H28O16
Molecular Formula
C26H28O16
Molecular Formula
C26H28O16
Molecular Formula
C26H28O16
Fda Maximum Daily Dose (Fdamdd)
0.005
Quantitative Estimate Of Drug Likeness（Qed）
0.137