Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 60091
- Core Entity Id
- 107109
- Source Entity Count
- 1
- Preferred Name
- A-Spinasterol
- Name En
- Pubchem Id
- 5315190
- Smiles Canonical
- CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C
- Molecular Formula
- C29H48O
- Molecular Weight
- 412.3700
- Inchikey
- JZVFJDZBLUFKCA-CMDGGOBGSA-N
- Inchi
- InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h8-9,11,19-23,25-27,30H,7,10,12-18H2,1-6H3/b9-8+
- Isomeric Smiles
- Cas Id
- Ob Score
- 35.1132
- Mol Logp
- 8.3000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
A-Spinasterol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
a-Spinasterol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Pub Chem
5315190
Etcm Ingredient
a-Spinasterol
Itcmdb Generated
ITX-INGREDIENT-9D4F3FD7E22C
Attributes
Merged source attributes and domain-specific metadata.
Version
v1,v2
Ob Score
35.11316684
Suppress
1
Molecule Weight
470.91
Molecular Weight
412.370
Molecular Formula
C29H48O
Link Ingredient Id
5817.0
Fda Maximum Daily Dose (Fdamdd)
0.637
Quantitative Estimate Of Drug Likeness（Qed）
0.457