Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 5Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 73118
- Core Entity Id
- 135767
- Source Entity Count
- 1
- Preferred Name
- Lacerol
- Name En
- Pubchem Id
- 62920
- Smiles Canonical
- CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl
- Molecular Formula
- C22H27ClN2O4S
- Molecular Weight
- 450.1400
- Inchikey
- HDRXZJPWHTXQRI-BHDTVMLSSA-N
- Inchi
- InChI=1S/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H/t20-,21+;/m1./s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.7903
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- Polar Surface Area
- 84.4000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lacerol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Lacerol
Itcmdb Generated
ITX-INGREDIENT-F762FB212BD9
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
450.140
Molecular Formula
C22H27ClN2O4S
Fda Maximum Daily Dose (Fdamdd)
0.203
Quantitative Estimate Of Drug Likeness（Qed）
0.676