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
- 36090
- Core Entity Id
- 43306
- Source Entity Count
- 1
- Preferred Name
- Ugonin e
- Name En
- Pubchem Id
- 12114693
- Smiles Canonical
- CC(C)(C=C)C1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
- Molecular Formula
- C20H20O5
- Molecular Weight
- 340.3750
- Inchikey
- QEGKZPOCQRZIAS-INIZCTEOSA-N
- Inchi
- InChI=1S/C20H20O5/c1-4-20(2,3)18-15(24)9-13(22)17-14(23)10-16(25-19(17)18)11-5-7-12(21)8-6-11/h4-9,16,21-22,24H,1,10H2,2-3H3/t16-/m0/s1
- Isomeric Smiles
- CC(C)(C=C)C1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9735
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7360
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ugonin E
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ugonin e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ugonin e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
入地蜈蚣
Role
TCM_name
Source
TCMBank
Preferred
No
Name
RU DI WU GONG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ceylan Helminthostachys
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanone
Role
alias
Source
HERB_v2
Preferred
No
Name
5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanone
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140297
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140297
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
入地蜈蚣RU DI WU GONGCeylan Helminthostachys5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanoneLMPK12140297
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047466
Npass
NPC33091
Tcmid
22162
Pub Chem
12114693
Tcmbank
TCMBANKIN039321
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O5/c1-4-20(2,3)18-15(24)9-13(22)17-14(23)10-16(25-19(17)18)11-5-7-12(21)8-6-11/h4-9,16,21-22,24H,1,10H2,2-3H3/t16-/m0/s1
Mol Wt
340.375
Mol Log P
3.973500000000004
In Ch Ikey
QEGKZPOCQRZIAS-INIZCTEOSA-N
Tcm Name
入地蜈蚣
Tcm Name2
RU DI WU GONG
Mol2 Path
/TCM_database/2007_3d_all/22178.mol2
Reference
3484
Num Hdonors
3
Tcm Name En
Ceylan Helminthostachys
Drug Likeness
0.736
Num Hacceptors
5
Isomeric Smiles
CC(C)(C=C)C1=C(C=C(C2=C1O[C@@H](CC2=O)C3=CC=C(C=C3)O)O)O
Canonical Smiles
CC(C)(C=C)C1=C(C=C(C2=C1OC(CC2=O)C3=CC=C(C=C3)O)O)O
Herb Alias Names
5,7,4'-Trihydroxy-8-(1,1-dimethylallyl)flavanoneLMPK12140297
Molecular Weight
340.4 g/mol
Molecular Formula
C20H20O5
Num Rotatable Bonds
3