Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 62815
- Core Entity Id
- 109833
- Source Entity Count
- 1
- Preferred Name
- 3-Methylkaempferol
- Name En
- Pubchem Id
- 5280862
- Smiles Canonical
- COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)O
- Molecular Formula
- C16H12O6
- Molecular Weight
- 300.2600
- Inchikey
- VJJZJBUCDWKPLC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H12O6/c1-21-16-14(20)13-11(19)6-10(18)7-12(13)22-15(16)8-2-4-9(17)5-3-8/h2-7,17-19H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.2000
- 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
3-Methylkaempferol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT21205
Itcmdb Generated
ITX-INGREDIENT-450F02C5001A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v2
Suppress
0