Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64714
- Core Entity Id
- 111732
- Source Entity Count
- 1
- Preferred Name
- Scutellarien-7-Methyl Ether
- Name En
- Pubchem Id
- 3084390
- Smiles Canonical
- COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=C(C=C3)O)O)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.2600
- Inchikey
- UWARRXZVZDFPQU-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-13-7-12-14(16(20)15(13)19)10(18)6-11(22-12)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.7000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- Polar Surface Area
- 96.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Scutellarien-7-Methyl Ether
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Scutellarien-7-Methyl Ether
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT26730
Itcmdb Generated
ITX-INGREDIENT-CB41ACEC38AC
Attributes
Merged source attributes and domain-specific metadata.
Type
Metabolic ingredients
Version
v2
Suppress
0