Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Target: 2Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 65114
- Core Entity Id
- 127763
- Source Entity Count
- 1
- Preferred Name
- (+)-1(R)-Coclaurine
- Name En
- Pubchem Id
- 440989
- Smiles Canonical
- COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
- Molecular Formula
- C17H19NO3
- Molecular Weight
- 285.1400
- Inchikey
- LVVKXRQZSRUVPY-OAHLLOKOSA-N
- Inchi
- InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3/t15-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 2.6000
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 3
- Drug Likeness
- Polar Surface Area
- 61.7000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-1(R)-Coclaurine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
(+)-1(R)-Coclaurine
Itcmdb Generated
ITX-INGREDIENT-7CE109332288
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
285.140
Molecular Formula
C17H19NO3
Fda Maximum Daily Dose (Fdamdd)
0.965
Quantitative Estimate Of Drug Likeness（Qed）
0.811