Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 12Links: 13
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15314
- Core Entity Id
- 20189
- Source Entity Count
- 1
- Preferred Name
- Coumarin,glycoside
- Name En
- Pubchem Id
- 162813237
- Smiles Canonical
- C/C(=C\COc1c2ccoc2cc2oc(=O)ccc12)CC[C@H](OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O)C(C)(C)O
- Molecular Formula
- C27H34O11
- Molecular Weight
- 535.0000
- Inchikey
- NRDQGDFOHCHBGY-WRIXHDSPSA-N
- Inchi
- InChI=1S/C27H34O11/c1-14(4-6-20(27(2,3)33)36-13-19-22(29)23(30)24(31)26(32)38-19)8-10-35-25-15-5-7-21(28)37-18(15)12-17-16(25)9-11-34-17/h5,7-9,11-12,19-20,22-24,26,29-33H,4,6,10,13H2,1-3H3/b14-8+/t19-,20+,22-,23+,24-,26-/m1/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- 33.0720
- Mol Logp
- 2.0000
- Num H Donors
- 5
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 10
- Drug Likeness
- Polar Surface Area
- 168.0000
- Molecular Volume
- 350.0000
- Alogp
- 2.0000
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coumarin,Glycoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Coumarin,glycoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Coumarin,glycoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
coumarin glycoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
coumarin glycoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
羌活
Role
TCM_name
Source
TCMBank
Preferred
No
Name
宽叶羌活 Notopterygium forbesii
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Rhizoma et Radix Notopterygii
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
1.解表药(28-28)
Role
level1_name
Source
TCMBank
Preferred
No
Name
exterior-releasing medicinal
Role
level1_name_en
Source
TCMBank
Preferred
No
Name
1.发散风寒药(16-16)
Role
level2_name
Source
TCMBank
Preferred
No
Name
wind-cold-dispersing
Role
level2_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
coumarin glycoside羌活宽叶羌活 Notopterygium forbesiiRhizoma et Radix Notopterygii1.解表药(28-28)exterior-releasing medicinal1.发散风寒药(16-16)wind-cold-dispersing
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021610
Tcmsp
MOL011968
Sym Map
SMIT12794
Tcmbank
TCMBANKIN003792
Etcm Ingredient
coumarin glycoside
Itcmdb Generated
ITX-INGREDIENT-3D1C2195B9A7ITX-INGREDIENT-83957B8A5830
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Alog P
2
Smiles
c12c(oc([H])c1[H])c([H])c3c(C([H])=C([H])C(=O)O3)c2OC([H])([H])\C([H])=C(/C([H])([H])[H])\C([H])([H])C([H])([H])[C@]([H])(OC([H])([H])[C@@]4([H])O[C@@]([H])(O[H])[C@]([H])(O[H])[C@@]([H])(O[H])[C@]4([
H])O[H])C(O[H])(C([H])([H])[H])C([H])([H])[H]
37 Flag
37
C Count
27
N Count
0
O Count
11
P Count
0
S Count
0
Version
v1,v2
Ob Score
33.0719650333.072
Suppress
0
Tcm Name
羌活
Tcm Name2
宽叶羌活 Notopterygium forbesii
Mol2 Path
/TCM_database/1.解表药(28-28)/1.发散风寒药(16-16)/羌活/宽叶羌活 Notopterygium forbesii/structure/coumarin glycoside.mol2
Tcm Name En
Rhizoma et Radix Notopterygii
Level1 Name
1.解表药(28-28)
Level2 Name
1.发散风寒药(16-16)
Num H Donors
5
Level1 Name En
exterior-releasing medicinal
Level2 Name En
wind-cold-dispersing
Molecule Weight
534.61
Num H Acceptors
10
Molecular Weight
534.210
Molecular Volume
350
Molecular Weight
535
Molecular Formula
C27H34O11
Molecular Formula
C27H34O11
Num Rotatable Bonds
10
Molecular Polar Surface Area
168
Fda Maximum Daily Dose (Fdamdd)
0.655
Quantitative Estimate Of Drug Likeness（Qed）
0.189