Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 8214
- Core Entity Id
- 12303
- Source Entity Count
- 1
- Preferred Name
- 7alpha-hydroxy-sitosterol
- Name En
- Pubchem Id
- 162950476
- Smiles Canonical
- CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C
- Molecular Formula
- C29H50O2
- Molecular Weight
- 431.0000
- Inchikey
- SXJVFYZNUGGHRG-QOUSCEAZSA-N
- Inchi
- InChI=1S/C29H50O2/c1-7-20(18(2)3)9-8-19(4)23-10-11-24-27-25(13-15-29(23,24)6)28(5)14-12-22(30)16-21(28)17-26(27)31/h17-20,22-27,30-31H,7-16H2,1-6H3/t19-,20-,22+,23-,24-,25+,26-,27+,28+,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 7.0000
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 6
- Drug Likeness
- Polar Surface Area
- 40.0000
- Molecular Volume
- 343.0000
- Alogp
- 7.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
7alpha-hydroxy-sitosterol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
7alpha-hydroxy-sitosterol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7alpha-hydroxysitosterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
7alpha-hydroxysitosterol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
7alpha-hydroxysitosterol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013045
Tcmid
34523
Tcmbank
TCMBANKIN028741
Etcm Ingredient
7alpha-hydroxysitosterol
Itcmdb Generated
ITX-INGREDIENT-1B9F2B450391ITX-INGREDIENT-EDB93C7864CA
Attributes
Merged source attributes and domain-specific metadata.
Alog P
7
Smiles
[C@]12(C([H])([H])[H])C(=C([H])[C@@]([H])(O[H])[C@]3([H])[C@]1([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])C4([H])[H])[C@@]34[H])C([H])([H])[C@@]([H])(O[H])C([H])([H])C2([H])[H]
37 Flag
37
C Count
29
N Count
0
O Count
2
P Count
0
S Count
0
Tcm Name
玉米须
Mol2 Path
/TCM_database/4.利水渗湿药(27-27)/1.利水消肿药(11-11)/玉米须/structure/7alpha-hydroxysitosterol.mol2
Tcm Name En
Zea mays
Level1 Name
4.利水渗湿药(27-27)
Level2 Name
1.利水消肿药(11-11)
Num H Donors
2
Level1 Name En
dampness-resolving medicinal
Level2 Name En
water-draining and swelling-dispersing medicinal
Num H Acceptors
2
Molecular Weight
430.380
Molecular Volume
343
Molecular Weight
431
Molecular Formula
C29H50O2
Molecular Formula
C29H50O2
Num Rotatable Bonds
6
Molecular Polar Surface Area
40
Fda Maximum Daily Dose (Fdamdd)
0.211
Quantitative Estimate Of Drug Likeness（Qed）
0.446