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
- 54890
- Core Entity Id
- 97901
- Source Entity Count
- 1
- Preferred Name
- Bessisterol
- Name En
- Pubchem Id
- 5281331
- Smiles Canonical
- CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4C[C@H](O)CC[C@@]4(C)[C@H]3CC[C@@]12C)C(C)C
- Molecular Formula
- C29H48O
- Molecular Weight
- 412.7000
- Inchikey
- JZVFJDZBLUFKCA-FXIAWGAOSA-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+/t20-,21-,22+,23+,25-,26+,27+,28+,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 42.9794
- Mol Logp
- 8.0000
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 5
- Drug Likeness
- Polar Surface Area
- 20.0000
- Molecular Volume
- 336.0000
- Alogp
- 8.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Bessisterol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Bessisterol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
bessisterol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
木贼
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MU ZEI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Common Scouring Rush
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
stigmast-7,22-dien-3-ol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
党蔘
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Codonopsis pilosula
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
24S-ethyl 5 alpha-cholesta-7,22E-dien-3 beta-ol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
木贼MU ZEICommon Scouring Rushstigmast-7,22-dien-3-ol党蔘Codonopsis pilosula24S-ethyl 5 alpha-cholesta-7,22E-dien-3 beta-ol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017938
Tcmbank
TCMBANKIN052841TCMBANKIN060676TCMBANKIN001251TCMBANKIN035558
Etcm Ingredient
bessisterol24S-ethyl 5 alpha-cholesta-7,22E-dien-3 beta-ol
Itcmdb Generated
ITX-INGREDIENT-933FF0F4EB89ITX-INGREDIENT-D2D1663FFEBAITX-INGREDIENT-69213DD3D70AITX-INGREDIENT-41ED1B382F07ITX-INGREDIENT-9C6321C37072
Attributes
Merged source attributes and domain-specific metadata.
Alog P
8
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])=C([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])C3=C([H])C4([H])[H])[C@]4([H])C([H])([H])[C@]1([H])O[H]CCC(C=CC(C)C1CCC2C1(CCC3C2=CCC4C3(CCC(C4)O)C)C)C(C)C
37 Flag
37
C Count
29
N Count
0
O Count
1
P Count
0
S Count
0
Version
v1,v2
Ob Score
42.9793655242.979366
Suppress
1
Tcm Name
木贼
Tcm Name2
MU ZEI
Mol2 Path
/TCM_database/2003_3d_all/875.mol2
Reference
6
Tcm Name En
Common Scouring Rush
Level1 Name
13.补虚药(60-62)
Level2 Name
1.补气药(15-15)
Num H Donors
1
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
qi-tonifying medicinal
Molecule Weight
412.77
Num H Acceptors
1
Molecular Weight
412.370
Molecular Volume
336
Molecular Weight
412.7 g/mol
Molecule Formula
C29H48O
Molecular Formula
C29H48O
Molecular Formula
C29H48O
Link Ingredient Id
13135.0
Num Rotatable Bonds
5
Molecular Polar Surface Area
20
Fda Maximum Daily Dose (Fdamdd)
0.984
Quantitative Estimate Of Drug Likeness（Qed）
0.457