Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 15Links: 16
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 69678
- Core Entity Id
- 132327
- Source Entity Count
- 1
- Preferred Name
- 9Y8NXQ24VQ
- Name En
- Pubchem Id
- 4946
- Smiles Canonical
- CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
- Molecular Formula
- C32H42N2O4
- Molecular Weight
- 518.3100
- Inchikey
- AQHHHDLHHXJYJD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 3.0000
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 41.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
9Y8NXQ24VQ
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
9Y8NXQ24VQ
Itcmdb Generated
ITX-INGREDIENT-0CD56F4DF129
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
518.310
Molecular Formula
C32H42N2O4
Fda Maximum Daily Dose (Fdamdd)
0.548
Quantitative Estimate Of Drug Likeness（Qed）
0.838