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
- 62269
- Core Entity Id
- 109287
- Source Entity Count
- 1
- Preferred Name
- 5-Methoxypsoralen
- Name En
- Pubchem Id
- 2355
- Smiles Canonical
- COC1=C2C=CC(=O)OC2=CC3=C1C=CO3
- Molecular Formula
- C12H8O4
- Molecular Weight
- 216.0400
- Inchikey
- BGEBZHIAGXMEMV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C12H8O4/c1-14-12-7-2-3-11(13)16-10(7)6-9-8(12)4-5-15-9/h2-6H,1H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.3000
- 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
5-Methoxypsoralen
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
5-Methoxypsoralen
Role
preferred
Source
SymMap_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
5-Methoxypsoralen
Itcmdb Generated
ITX-INGREDIENT-0B0D73705F9A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Molecular Weight
216.040
Molecular Formula
C12H8O4
Fda Maximum Daily Dose (Fdamdd)
0.245
Quantitative Estimate Of Drug Likeness（Qed）
0.586