Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 12Ingredient: 1Target: 11Links: 23
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 51600
- Core Entity Id
- 94611
- Source Entity Count
- 1
- Preferred Name
- alpha-Tocopherol
- Name En
- Pubchem Id
- 14985
- Smiles Canonical
- Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
- Molecular Formula
- C29H50O2
- Molecular Weight
- 431.0000
- Inchikey
- GVJHHUAWPYXKBD-IEOSBIPESA-N
- Inchi
- InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3/t21-,22-,29-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 10.0000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- 29.0000
- Molecular Volume
- 355.0000
- Alogp
- 10.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
alpha-Tocopherol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
alpha-tocopherol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
黑芝 麻
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Sesamum indicum
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13.补虚药(60-62)
Role
level1_name
Source
TCMBank
Preferred
No
Name
tonifying and replenishing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
4.补阴药(17-17)
Role
level2_name
Source
TCMBank
Preferred
No
Name
yin-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Name
a-tocopherol
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
1.补气药(15-15)
Role
level2_name
Source
TCMBank
Preferred
No
Name
qi-tonifying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
黑芝 麻Sesamum indicum13.补虚药(60-62)tonifying and replenishing medicinal4.补阴药(17-17)yin-tonifying medicinala-tocopherol党蔘Codonopsis pilosula1.补气药(15-15)qi-tonifying medicinal
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN040117TCMBANKIN029689
Etcm Ingredient
alpha-tocopherol
Itcmdb Generated
ITX-INGREDIENT-A654492AAAD3ITX-INGREDIENT-F7F33DD1C8C8ITX-INGREDIENT-49EA64307A7E
Attributes
Merged source attributes and domain-specific metadata.
Alog P
10
Smiles
C([H])([H])([H])c1c(O[H])c(C([H])([H])[H])c(C([H])([H])[H])c(O[C@](C([H])([H])C2([H])[H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])([H])C([H])([H])C([H])([H])[C@@]([H])(C([H])(
[H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H])c12
37 Flag
37
C Count
29
N Count
0
O Count
2
P Count
0
S Count
0
Tcm Name
黑芝 麻
Tcm Name2
Codonopsis pilosula
Mol2 Path
/TCM_database/13.补虚药(60-62)/4.补阴药(17-17)/黑芝 麻/structure/alpha-Tocopherol.mol2
Tcm Name En
Sesamum indicum
Level1 Name
13.补虚药(60-62)
Level2 Name
4.补阴药(17-17)
Num H Donors
1
Level1 Name En
tonifying and replenishing medicinal
Level2 Name En
yin-tonifying medicinal
Num H Acceptors
2
Molecular Weight
430.380
Molecular Volume
355
Molecular Weight
431
Molecular Formula
C29H50O2
Molecular Formula
C29H50O2
Num Rotatable Bonds
12
Molecular Polar Surface Area
29
Fda Maximum Daily Dose (Fdamdd)
0.072
Quantitative Estimate Of Drug Likeness（Qed）
0.359