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: 4Ingredient: 1Target: 12Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 64283
- Core Entity Id
- 111301
- Source Entity Count
- 1
- Preferred Name
- Methoxsalen
- Name En
- Pubchem Id
- 4114
- Smiles Canonical
- COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2
- Molecular Formula
- C12H8O4
- Molecular Weight
- 216.1900
- Inchikey
- QXKHYNVANLEOEG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H8O4/c1-14-12-10-8(4-5-15-10)6-7-2-3-9(13)16-11(7)12/h2-6H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.9000
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 48.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Methoxsalen
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT25341
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Version
v2
Suppress
0
Molecule Formula
C12H8O4