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
- 49279
- Core Entity Id
- 92290
- Source Entity Count
- 1
- Preferred Name
- dehydro-alpha-tocopherol
- Name En
- Pubchem Id
- 10574579
- Smiles Canonical
- Cc1c(C)c2c(c(C)c1O)C=C[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
- Molecular Formula
- C29H48O2
- Molecular Weight
- 429.0000
- Inchikey
- JDRGHECKJUSWSU-IEOSBIPESA-N
- Inchi
- InChI=1S/C29H48O2/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/h17,19-22,30H,9-16,18H2,1-8H3/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
- 350.0000
- Alogp
- 10.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
dehydro-alpha-tocopherol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
dehydro-alpha-tocopherol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
百部
Role
TCM_name
Source
TCMBank
Preferred
No
Name
对叶百部Stemona tuberosa Lour
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
BAI BU
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
9.化痰止咳平喘药(34-34)
Role
level1_name
Source
TCMBank
Preferred
No
Name
cough-suppressing and panting-calming medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
3.止咳平喘药(11-11)
Role
level2_name
Source
TCMBank
Preferred
No
Name
cough-suppressing and panting-calming medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
百部对叶百部Stemona tuberosa LourBAI BU9.化痰止咳平喘药(34-34)cough-suppressing and panting-calming medicinal3.止咳平喘药(11-11)
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN031100
Etcm Ingredient
dehydro-alpha-tocopherol
Itcmdb Generated
ITX-INGREDIENT-4F8ACDF5705EITX-INGREDIENT-AE4FE8A17FAB
Attributes
Merged source attributes and domain-specific metadata.
Alog P
10
Smiles
c1(O[H])c(C([H])([H])[H])c(C([H])=C([H])[C@@](C([H])([H])[H])(C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])
C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H])O2)c2c(C([H])([H])[H])c1C([H])([H])[H]
37 Flag
37
C Count
29
N Count
0
O Count
2
P Count
0
S Count
0
Tcm Name
百部
Tcm Name2
对叶百部Stemona tuberosa Lour
Mol2 Path
/TCM_database/9.化痰止咳平喘药(34-34)/3.止咳平喘药(11-11)/百部/对叶百部Stemona tuberosa Lour/Structure/dehydro-alpha-tocopherol.mol2
Tcm Name En
BAI BU
Level1 Name
9.化痰止咳平喘药(34-34)
Level2 Name
3.止咳平喘药(11-11)
Num H Donors
1
Level1 Name En
cough-suppressing and panting-calming medicinal
Level2 Name En
cough-suppressing and panting-calming medicinal
Num H Acceptors
2
Molecular Weight
428.370
Molecular Volume
350
Molecular Weight
429
Molecular Formula
C29H48O2
Molecular Formula
C29H48O2
Num Rotatable Bonds
12
Molecular Polar Surface Area
29
Fda Maximum Daily Dose (Fdamdd)
0.232
Quantitative Estimate Of Drug Likeness（Qed）
0.360