Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Trial: 1Herb: 12Ingredient: 1Meta-analysis: 3Target: 5Links: 21
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33962
- Core Entity Id
- 40947
- Source Entity Count
- 1
- Preferred Name
- Sterol
- Name En
- Pubchem Id
- 1107
- Smiles Canonical
- C1CC2CCC3C4CCC(CC4CCC3C2C1)O
- Molecular Formula
- C17H28O
- Molecular Weight
- 248.4100
- Inchikey
- FPXSXMFOYWRHDX-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2
- Isomeric Smiles
- C1CC2CCC3C4CCC(CC4CCC3C2C1)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9999
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.6870
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sterol
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sterols
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sterol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sterol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sterols
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sterols
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sterols
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sterols
Role
preferred
Source
TCMBank
Preferred
Yes
Name
β-sterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3-hydroxysteroids
Role
alias
Source
HERB_v2
Preferred
No
Name
3-hydroxysteroids
Role
alias
Source
itcmdb_public
Preferred
No
Name
C00370
Role
alias
Source
itcmdb_public
Preferred
No
Name
C00370
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:15889
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:15889
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4544647
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4544647
Role
alias
Source
HERB_v2
Preferred
No
Name
Sterols
Role
alias
Source
itcmdb_public
Preferred
No
Name
Sterols
Role
alias
Source
HERB_v2
Preferred
No
Name
sterol
Role
alias
Source
HERB_v2
Preferred
No
Name
sterol
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Sterolsβ-sterol3-hydroxysteroidsC00370CHEBI:15889SCHEMBL4544647
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044827HBIN044830
Tcmid
2475632783
Sym Map
SMIT26915SMIT26918
Pub Chem
1107
Tcmbank
TCMBANKIN001366TCMBANKIN006402TCMBANKIN009292
Etcm Ingredient
Sterol
Itcmdb Generated
ITX-INGREDIENT-22B28CC0822BITX-INGREDIENT-8B3F4601C5C3ITX-INGREDIENT-AF2E62D42B2C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C17H28O/c18-13-6-9-15-12(10-13)5-8-16-14-3-1-2-11(14)4-7-17(15)16/h11-18H,1-10H2
Mol Wt
248.41
Smiles
C1CC2CCC3C4CCC(CC4CCC3C2C1)OCCC(CCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C)C(C)C.CCC(CCC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4C)O)C)C)C(C)C.CC(C)C(C)CCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
Mol Log P
3.999900000000003
Version
v2
In Ch Ikey
FPXSXMFOYWRHDX-UHFFFAOYSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.687
Num Hacceptors
1
Isomeric Smiles
C1CC2CCC3C4CCC(CC4CCC3C2C1)O
Canonical Smiles
C1CC2CCC3C4CCC(CC4CCC3C2C1)O
Herb Alias Names
Sterols3-hydroxysteroidsC00370SCHEMBL4544647CHEBI:15889
Molecular Weight
248.210
Molecular Weight
248.4 g/mol
Molecular Formula
C17H28O
Molecular Formula
C17H28OC87H152O3
Molecular Formula
C17H28O
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.454
Quantitative Estimate Of Drug Likeness（Qed）
0.687