Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 66591
- Core Entity Id
- 129240
- Source Entity Count
- 1
- Preferred Name
- 1-beta-Hydroxyarbusculin A
- Name En
- Pubchem Id
- 60199554
- Smiles Canonical
- CC12CCC3C(C1C(CCC2O)(C)O)OC(=O)C3=C
- Molecular Formula
- C15H22O4
- Molecular Weight
- 266.1500
- Inchikey
- LVABKRFKENTQBT-JWAKXMNJSA-N
- Inchi
- InChI=1S/C15H22O4/c1-8-9-4-6-14(2)10(16)5-7-15(3,18)12(14)11(9)19-13(8)17/h9-12,16,18H,1,4-7H2,2-3H3/t9-,10+,11-,12+,14-,15-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.4000
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- Polar Surface Area
- 66.8000
- Molecular Volume
- Alogp
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
1-beta-Hydroxyarbusculin A
Itcmdb Generated
ITX-INGREDIENT-15455829991B
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
266.150
Molecular Formula
C15H22O4
Fda Maximum Daily Dose (Fdamdd)
0.784
Quantitative Estimate Of Drug Likeness（Qed）
0.514