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
- 36094
- Core Entity Id
- 43310
- Source Entity Count
- 1
- Preferred Name
- Ugonin i
- Name En
- Pubchem Id
- 11247928
- Smiles Canonical
- CC1(CC=CC2(C1CC3=C(C=CC(=C3O2)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)OC)C)C
- Molecular Formula
- C26H26O7
- Molecular Weight
- 450.4870
- Inchikey
- NOXOLBDOTGSZPB-BCHFMIIMSA-N
- Inchi
- InChI=1S/C26H26O7/c1-25(2)8-5-9-26(3)19(25)12-15-14(6-7-16(28)22(15)33-26)23-24(31-4)21(30)20-17(29)10-13(27)11-18(20)32-23/h5-7,9-11,19,27-29H,8,12H2,1-4H3/t19-,26+/m1/s1
- Isomeric Smiles
- C[C@]12C=CCC([C@H]1CC3=C(C=CC(=C3O2)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)OC)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.8813
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4770
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ugonin I
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Ugonin i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ugonin i
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
SCHEMBL19665222
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL19665222
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
入地蜈蚣RU DI WU GONGCeylan HelminthostachysSCHEMBL19665222
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN047470
Tcmid
22166
Pub Chem
11247928
Tcmbank
TCMBANKIN044979
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H26O7/c1-25(2)8-5-9-26(3)19(25)12-15-14(6-7-16(28)22(15)33-26)23-24(31-4)21(30)20-17(29)10-13(27)11-18(20)32-23/h5-7,9-11,19,27-29H,8,12H2,1-4H3/t19-,26+/m1/s1
Mol Wt
450.4870000000003
Mol Log P
4.881300000000005
In Ch Ikey
NOXOLBDOTGSZPB-BCHFMIIMSA-N
Tcm Name
入地蜈蚣
Tcm Name2
RU DI WU GONG
Mol2 Path
/TCM_database/2007_3d_all/22182.mol2
Reference
3484
Num Hdonors
3
Tcm Name En
Ceylan Helminthostachys
Drug Likeness
0.477
Num Hacceptors
7
Isomeric Smiles
C[C@]12C=CCC([C@H]1CC3=C(C=CC(=C3O2)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)OC)(C)C
Canonical Smiles
CC1(CC=CC2(C1CC3=C(C=CC(=C3O2)O)C4=C(C(=O)C5=C(C=C(C=C5O4)O)O)OC)C)C
Herb Alias Names
SCHEMBL19665222
Molecular Formula
C26H26O7
Num Rotatable Bonds
2