Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 46325
- Core Entity Id
- 89336
- Source Entity Count
- 1
- Preferred Name
- (±)-5,5’-Dimethoxylaricire-Sinol-4-O-Glucoside
- Name En
- Pubchem Id
- 162878767
- Smiles Canonical
- COc1cc(C[C@@H]2CO[C@H](c3cc(OC)c(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)c(OC)c3)[C@@H]2CO)cc(OC)c1O
- Molecular Formula
- C28H38O13
- Molecular Weight
- 583.0000
- Inchikey
- OSPNTYPNEPEMIS-PLLCACILSA-N
- Inchi
- InChI=1S/C28H38O13/c1-35-17-6-13(7-18(36-2)22(17)31)5-15-12-39-26(16(15)10-29)14-8-19(37-3)27(20(9-14)38-4)41-28-25(34)24(33)23(32)21(11-30)40-28/h6-9,15-16,21,23-26,28-34H,5,10-12H2,1-4H3/t15-,16-,21-,23-,24+,25-,26-,28-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 1.0000
- Num H Donors
- 6
- Num H Acceptors
- 13
- Num Rotatable Bonds
- 11
- Drug Likeness
- Polar Surface Area
- 186.0000
- Molecular Volume
- 382.0000
- Alogp
- 1.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(±)-5,5’-Dimethoxylaricire-Sinol-4-O-Glucoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
(+,-)-5,5'-dimethoxylariciresinol-4-O-glucoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+,-)-5,5'-dimethoxylariciresinol-4-O-glucoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(±)-5,5’-Dimethoxylaricire-Sinol-4-O-Glucoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
黄柏
Role
TCM_name
Source
TCMBank
Preferred
No
Name
Phellodendron chinense
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
2.清热药(64-64)
Role
level1_name
Source
TCMBank
Preferred
No
Name
heat-clearing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
2.清热燥湿药(10-10)
Role
level2_name
Source
TCMBank
Preferred
No
Name
heat-clearing and dampness-drying medicinal
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+,-)-5,5'-dimethoxylariciresinol-4-O-glucoside黄柏Phellodendron chinense2.清热药(64-64)heat-clearing medicinal2.清热燥湿药(10-10)heat-clearing and dampness-drying medicinal
Cross References
Trusted external identifiers retained for this final record.
Sym Map
SMIT20037
Tcmbank
TCMBANKIN021357
Etcm Ingredient
(+,-)-5,5'-dimethoxylariciresinol-4-O-glucoside
Itcmdb Generated
ITX-INGREDIENT-11F184815013ITX-INGREDIENT-7D570C07554EITX-INGREDIENT-AE9FC1026405
Attributes
Merged source attributes and domain-specific metadata.
Type
Blood ingredients
Alog P
1
Smiles
c1(OC([H])([H])[H])c([H])c([C@]2([H])[C@]([H])(C([H])([H])O[H])[C@]([H])(C([H])([H])c3c([H])c(OC([H])([H])[H])c(O[H])c(OC([H])([H])[H])c3[H])C([H])([H])O2)c([H])c(OC([H])([H])[H])c1O[C@@]4([H])O[C@]([
H])(C([H])([H])O[H])[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]4([H])O[H]
37 Flag
37
C Count
28
N Count
0
O Count
13
P Count
0
S Count
0
Version
v2
Suppress
0
Tcm Name
黄柏
Mol2 Path
/TCM_database/2.清热药(64-64)/2.清热燥湿药(10-10)/黄柏/structure/(+,-)-5,5'-dimethoxylariciresinol-4-O-glucoside.mol2
Tcm Name En
Phellodendron chinense
Level1 Name
2.清热药(64-64)
Level2 Name
2.清热燥湿药(10-10)
Num H Donors
6
Level1 Name En
heat-clearing medicinal
Level2 Name En
heat-clearing and dampness-drying medicinal
Num H Acceptors
13
Molecular Weight
582.230
Molecular Volume
382
Molecular Weight
583
Molecular Formula
C28H38O13
Molecular Formula
C28H38O13
Num Rotatable Bonds
11
Molecular Polar Surface Area
186
Fda Maximum Daily Dose (Fdamdd)
0.058
Quantitative Estimate Of Drug Likeness（Qed）
0.210