Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 14Links: 15
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 40435
- Core Entity Id
- 83446
- Source Entity Count
- 1
- Preferred Name
- alpha-tocopherol acetate
- Name En
- Pubchem Id
- 86472
- Smiles Canonical
- CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2
- Molecular Formula
- C31H52O3
- Molecular Weight
- 473.0000
- Inchikey
- ZAKOWWREFLAJOT-CEFNRUSXSA-N
- Inchi
- InChI=1S/C31H52O3/c1-21(2)13-10-14-22(3)15-11-16-23(4)17-12-19-31(9)20-18-28-26(7)29(33-27(8)32)24(5)25(6)30(28)34-31/h21-23H,10-20H2,1-9H3/t22-,23-,31-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 10.0000
- Num H Donors
- 0
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 14
- Drug Likeness
- Polar Surface Area
- 36.0000
- Molecular Volume
- 381.0000
- Alogp
- 10.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
alpha-tocopherol acetate
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
alpha-tocopherol acetate
Role
preferred
Source
TCMBank
Preferred
Yes
Name
灵芝
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Ling Zhi
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
灵芝Ling Zhi
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN001011
Etcm Ingredient
alpha-tocopherol acetate
Itcmdb Generated
ITX-INGREDIENT-AE0855D17793ITX-INGREDIENT-BB5B7B42575B
Attributes
Merged source attributes and domain-specific metadata.
Alog P
10
Smiles
C([H])([H])([H])c1c(OC(=O)C([H])([H])[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
31
N Count
0
O Count
3
P Count
0
S Count
0
Tcm Name
灵芝
Mol2 Path
/TCM_database/10.安神药(9-9)/2.养心安神药(6-6)/灵芝/structure/3D/alpha-tocopherol acetate.mol2
Tcm Name En
Ling Zhi
Level1 Name
10.安神药(9-9)
Level2 Name
2.养心安神药(6-6)
Num H Donors
0
Level1 Name En
tranquillizing medicinal
Level2 Name En
heart-nourishing tranquillizing medicinal
Num H Acceptors
3
Molecular Weight
472.390
Molecular Volume
381
Molecular Weight
473
Molecular Formula
C31H52O3
Molecular Formula
C31H52O3
Num Rotatable Bonds
14
Molecular Polar Surface Area
36
Fda Maximum Daily Dose (Fdamdd)
0.038
Quantitative Estimate Of Drug Likeness（Qed）
0.212