Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Target: 8Links: 20
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36545
- Core Entity Id
- 43814
- Source Entity Count
- 1
- Preferred Name
- Vitamin ebeta
- Name En
- Pubchem Id
- 6857447
- Smiles Canonical
- Cc1cc(O)c(C)c2c1O[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CC2
- Molecular Formula
- C28H48O2
- Molecular Weight
- 416.7600
- Inchikey
- WGVKWNUPNGFDFJ-DQCZWYHMSA-N
- Inchi
- InChI=1S/C28H48O2/c1-20(2)11-8-12-21(3)13-9-14-22(4)15-10-17-28(7)18-16-25-24(6)26(29)19-23(5)27(25)30-28/h19-22,29H,8-18H2,1-7H3/t21-,22-,28-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 15.8209
- Mol Logp
- 10.3000
- Num H Donors
- 1
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 12
- Drug Likeness
- Polar Surface Area
- 29.5000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Vitamin E(Beta)
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Vitamin E(Beta)
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Vitamin E(beta)
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Vitamin E(beta)
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Vitamin e-beta
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Vitamin e-beta
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
醋柳果
Role
TCM_name
Source
TCMBank
Preferred
No
Name
CU LIU GUO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Seabuckthorn Fruit
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
Vitamin E(Beta)Vitamin e-beta醋柳果CU LIU GUOSeabuckthorn Fruit
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048055HBIN048056
Tcmid
22543
Tcmsp
MOL010280
Sym Map
SMIT11339SMIT18194SMIT27415
Tcmbank
TCMBANKIN027606TCMBANKIN057563
Etcm Ingredient
Vitamin E(beta)vitamin E-beta
Itcmdb Generated
ITX-INGREDIENT-73A1865E2186ITX-INGREDIENT-817F0808BD80ITX-INGREDIENT-9D5A1798D99DITX-INGREDIENT-A4C380C5604F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Smiles
c1(O[H])c(C([H])([H])[H])c(C([H])([H])C([H])([H])[C@](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])(C([H])([H])[H])O2)c2c(C([H])([H])[H])c1[H]
Version
v1,v2v2
Ob Score
15.8208568115.82085715.821
Suppress
0
Tcm Name
醋柳果
Tcm Name2
CU LIU GUO
Mol2 Path
/TCM_database/2003_3d_all/8916.mol2
Reference
2, 6, 7
Tcm Name En
Seabuckthorn Fruit
Molecule Weight
416.76
Molecular Weight
416.370
Molecular Weight
416.76
Molecular Formula
C28H48O2
Molecular Formula
C28H48O2
Fda Maximum Daily Dose (Fdamdd)
0.1750.616
Quantitative Estimate Of Drug Likeness（Qed）
0.370