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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33231
- Core Entity Id
- 40129
- Source Entity Count
- 1
- Preferred Name
- Shikokianidin
- Name En
- Pubchem Id
- 101316860
- Smiles Canonical
- CC(=O)OC1CCC(C2C13COC(C2OC(=O)C)(C45C3C(=O)CC(C4)C(=C)C5OC(=O)C)O)(C)C
- Molecular Formula
- C26H34O9
- Molecular Weight
- 490.5490
- Inchikey
- CLTNHNQQGYEAAN-IXSCFCPWSA-N
- Inchi
- InChI=1S/C26H34O9/c1-12-16-9-17(30)19-24-11-32-26(31,25(19,10-16)21(12)34-14(3)28)22(35-15(4)29)20(24)23(5,6)8-7-18(24)33-13(2)27/h16,18-22,31H,1,7-11H2,2-6H3/t16-,18+,19+,20-,21-,22+,24+,25+,26-/m1/s1
- Isomeric Smiles
- CC(=O)O[C@H]1CCC([C@@H]2[C@@]13CO[C@]([C@H]2OC(=O)C)([C@]45[C@H]3C(=O)C[C@H](C4)C(=C)[C@H]5OC(=O)C)O)(C)C
- Cas Id
- Ob Score
- Mol Logp
- 2.0880
- Num H Donors
- 1
- Num H Acceptors
- 9
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.3590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Shikokianidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Shikokianidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Shikokianidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
四国香茶菜
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SI GUO XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Shiko Rabdosia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
四国香茶菜SI GUO XIANG CHA CAIShiko Rabdosia*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043894
Tcmid
19799
Pub Chem
101316860
Tcmbank
TCMBANKIN045951
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H34O9/c1-12-16-9-17(30)19-24-11-32-26(31,25(19,10-16)21(12)34-14(3)28)22(35-15(4)29)20(24)23(5,6)8-7-18(24)33-13(2)27/h16,18-22,31H,1,7-11H2,2-6H3/t16-,18+,19+,20-,21-,22+,24+,25+,26-/m1/s1
Mol Wt
490.5490000000003
Mol Log P
2.087999999999999
In Ch Ikey
CLTNHNQQGYEAAN-IXSCFCPWSA-N
Tcm Name
四国香茶菜
Tcm Name2
SI GUO XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/19814.mol2
Reference
4067
Num Hdonors
1
Tcm Name En
Shiko Rabdosia*
Drug Likeness
0.359
Num Hacceptors
9
Isomeric Smiles
CC(=O)O[C@H]1CCC([C@@H]2[C@@]13CO[C@]([C@H]2OC(=O)C)([C@]45[C@H]3C(=O)C[C@H](C4)C(=C)[C@H]5OC(=O)C)O)(C)C
Canonical Smiles
CC(=O)OC1CCC(C2C13COC(C2OC(=O)C)(C45C3C(=O)CC(C4)C(=C)C5OC(=O)C)O)(C)C
Molecular Weight
490.5 g/mol
Molecular Formula
C26H34O9
Num Rotatable Bonds
3