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
- 189
- Core Entity Id
- 1879
- Source Entity Count
- 1
- Preferred Name
- 22-dihydrostigmasterol
- Name En
- Pubchem Id
- 162825813
- Smiles Canonical
- CC[C@@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C=C[C@@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]21C)C(C)C
- Molecular Formula
- C29H50O
- Molecular Weight
- 414.3900
- Inchikey
- NEWQKITUJNEGAS-QAJHYQLSSA-N
- Inchi
- InChI=1S/C29H50O/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/h10-11,19-27,30H,7-9,12-18H2,1-6H3/t20-,21+,22-,23-,24+,25-,26-,27+,28-,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 9.5000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 20.2000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
22-Dihydrostigmasterol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
22-Dihydrostigmasterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
22-dihydrostigmasterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
22-dihydrostigmasterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
木香
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MU XIANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common AuckIandia (Costustoot)
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
木香MU XIANGCommon AuckIandia (Costustoot)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN003696
Tcmid
25918
Tcmbank
TCMBANKIN044174
Etcm Ingredient
22-Dihydrostigmasterol
Itcmdb Generated
ITX-INGREDIENT-6DA8173B6875
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])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])=C4[H])[C@@]4([H])C([H])([H])[C@]1([H])O[H]
Tcm Name
木香
Tcm Name2
MU XIANG
Mol2 Path
/TCM_database/2003_3d_all/2369.mol2
Reference
2
Tcm Name En
Common AuckIandia (Costustoot)
Molecular Weight
414.390
Molecular Formula
C29H50O
Molecular Formula
C29H50O
Molecular Formula
C29H50O
Fda Maximum Daily Dose (Fdamdd)
0.099
Quantitative Estimate Of Drug Likeness（Qed）
0.438