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
- 51591
- Core Entity Id
- 94602
- Source Entity Count
- 1
- Preferred Name
- (+)-Pinoresinol-Di-O-Β-D-Glucoside
- Name En
- Pubchem Id
- 13991179
- Smiles Canonical
- COc1cc(C2OCC3C(c4ccc(OC5OC(CO)C(O)C(O)C5O)c(OC)c4)OCC23)ccc1OC1OC(CO)C(O)C(O)C1O
- Molecular Formula
- C32H42O16
- Molecular Weight
- 682.6700
- Inchikey
- ZJSJQWDXAYNLNS-UHFFFAOYSA-N
- Inchi
- InChI=1S/C32H42O16/c1-41-19-7-13(3-5-17(19)45-31-27(39)25(37)23(35)21(9-33)47-31)29-15-11-44-30(16(15)12-43-29)14-4-6-18(20(8-14)42-2)46-32-28(40)26(38)24(36)22(10-34)48-32/h3-8,15-16,21-40H,9-12H2,1-2H3
- Isomeric Smiles
- Cas Id
- Ob Score
- 3.0692
- Mol Logp
- -1.3000
- Num H Donors
- 8
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 236.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+)-Pinoresinol-Di-O-Β-D-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
(+)-Pinoresinol-di-O-β-D-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(+)-Pinoresinol-di-O-β-D-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-pinoresinol-di-o-beta-d-glucoside
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-pinoresinol-di-o-β-d-glucoside
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+)-pinoresinol-di-o-beta-d-glucoside
Cross References
Trusted external identifiers retained for this final record.
Tcmbank
TCMBANKIN040063TCMBANKIN061612
Etcm Ingredient
(+)-Pinoresinol-di-O-β-D-glucoside
Itcmdb Generated
ITX-INGREDIENT-2FE66405CD3FITX-INGREDIENT-7DEE51A692AD
Attributes
Merged source attributes and domain-specific metadata.
Smiles
COC1=C(C=CC(=C1)C2C3COC(C3CO2)C4=CC(=C(C=C4)OC5C(C(C(C(O5)CO)O)O)O)OC)OC6C(C(C(C(O6)CO)O)O)O
Version
v1,v2
Ob Score
3.0692127953.069213
Suppress
1
Tcm Name
缬草
Tcm Name2
XIE CAO
Mol2 Path
/TCM_database/2007_3d_all/17412.mol2
Reference
2, 4656, 5501, 5508
Tcm Name En
Common Valeriana
Molecule Weight
682.74
Molecular Weight
682.250
Molecular Weight
682.67
Molecular Formula
C32H42O16
Molecular Formula
C32H42O16
Link Ingredient Id
10204.0
Fda Maximum Daily Dose (Fdamdd)
0.012
Quantitative Estimate Of Drug Likeness（Qed）
0.137