Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 5Ingredient: 1Target: 12Links: 17
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 63953
- Core Entity Id
- 110971
- Source Entity Count
- 1
- Preferred Name
- Hydrastis
- Name En
- Pubchem Id
- 969516
- Smiles Canonical
- COC1=C(C=CC(=C1)C=CC(=O)CC(=O)C=CC2=CC(=C(C=C2)O)OC)O
- Molecular Formula
- C19H13NO4
- Molecular Weight
- 368.4000
- Inchikey
- VFLDPWHFBUODDF-FCXRPNKRSA-N
- Inchi
- InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.2000
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 8
- Drug Likeness
- Polar Surface Area
- 93.1000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Hydrastis
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT24467
Attributes
Merged source attributes and domain-specific metadata.
Type
QC ingredients
Version
v2
Suppress
0
Molecule Formula
C19H13NO4