Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 3Links: 7
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 48275
- Core Entity Id
- 91286
- Source Entity Count
- 1
- Preferred Name
- (24R)-alpha-Methyl cholestanol
- Name En
- Pubchem Id
- 162919677
- Smiles Canonical
- CC(C)[C@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@]21C
- Molecular Formula
- C28H50O
- Molecular Weight
- 402.3900
- Inchikey
- ARYTXMNEANMLMU-SGNBZDRVSA-N
- Inchi
- InChI=1S/C28H50O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h18-26,29H,7-17H2,1-6H3/t19-,20-,21+,22-,23+,24+,25-,26+,27-,28+/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 9.6000
- 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
(24R)-alpha-Methyl cholestanol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(24R)-alpha-Methyl cholestanol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
山药
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SHAN YAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Yam
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
山药SHAN YAOCommon Yam
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN027926
Etcm Ingredient
(24R)-alpha-Methyl cholestanol
Itcmdb Generated
ITX-INGREDIENT-1F21D0925D2BITX-INGREDIENT-3B848AD32524
Attributes
Merged source attributes and domain-specific metadata.
Smiles
C1([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@@]([H])(C([H])([H])C([H])([H])[C@@](C([H])([H])[H])([C@]([H])([C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])[H])C([H])(C([H])([H]
)[H])C([H])([H])[H])C([H])([H])C2([H])[H])[C@]23[H])[C@@]3([H])C([H])([H])C4([H])[H])[C@]4([H])C([H])([H])[C@]1([H])O[H]
Tcm Name
山药
Tcm Name2
SHAN YAO
Mol2 Path
/TCM_database/2003_3d_all/5548.mol2
Reference
1399
Tcm Name En
Common Yam
Molecular Weight
402.390
Molecular Formula
C28H50O
Molecular Formula
C28H50O
Fda Maximum Daily Dose (Fdamdd)
0.188
Quantitative Estimate Of Drug Likeness（Qed）
0.499