Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Target: 4Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65263
- Core Entity Id
- 127912
- Source Entity Count
- 1
- Preferred Name
- (1S,2R)-2-phenylcyclopropanamine
- Name En
- Pubchem Id
- 26070
- Smiles Canonical
- C1C(C1N)C2=CC=CC=C2
- Molecular Formula
- C9H11N
- Molecular Weight
- 133.0900
- Inchikey
- AELCINSCMGFISI-BDAKNGLRSA-N
- Inchi
- InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t8-,9+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.5000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- Polar Surface Area
- 26.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(1S,2R)-2-phenylcyclopropanamine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(1S,2R)-2-phenylcyclopropanamine
Itcmdb Generated
ITX-INGREDIENT-0E7DED626704
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
133.090
Molecular Formula
C9H11N
Fda Maximum Daily Dose (Fdamdd)
0.889
Quantitative Estimate Of Drug Likeness（Qed）
0.617