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
- 31547
- Core Entity Id
- 38252
- Source Entity Count
- 1
- Preferred Name
- Rabdosianin c
- Name En
- Pubchem Id
- 101654194
- Smiles Canonical
- CC(=O)OC1C2C(CCCC23COC1(C45C3C(=O)CC(C4)C(=C)C5O)O)(C)C
- Molecular Formula
- C22H30O6
- Molecular Weight
- 390.4760
- Inchikey
- FEJALDKUBGTFHQ-WJOSLSGOSA-N
- Inchi
- InChI=1S/C22H30O6/c1-11-13-8-14(24)15-20-7-5-6-19(3,4)16(20)18(28-12(2)23)22(26,27-10-20)21(15,9-13)17(11)25/h13,15-18,25-26H,1,5-10H2,2-4H3/t13-,15+,16-,17-,18+,20-,21+,22-/m1/s1
- Isomeric Smiles
- CC(=O)O[C@H]1[C@H]2[C@]3(CCCC2(C)C)CO[C@]1([C@]45[C@H]3C(=O)C[C@H](C4)C(=C)[C@H]5O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.9756
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rabdosianin C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rabdosianin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Rabdosianin c
Role
preferred
Source
HERB_v2
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
HBIN041857
Tcmid
18474
Pub Chem
101654194
Tcmbank
TCMBANKIN045904
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H30O6/c1-11-13-8-14(24)15-20-7-5-6-19(3,4)16(20)18(28-12(2)23)22(26,27-10-20)21(15,9-13)17(11)25/h13,15-18,25-26H,1,5-10H2,2-4H3/t13-,15+,16-,17-,18+,20-,21+,22-/m1/s1
Mol Wt
390.4760000000002
Mol Log P
1.975600000000001
In Ch Ikey
FEJALDKUBGTFHQ-WJOSLSGOSA-N
Tcm Name
四国香茶菜
Tcm Name2
SI GUO XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/18489.mol2
Reference
4067
Num Hdonors
2
Tcm Name En
Shiko Rabdosia*
Drug Likeness
0.525
Num Hacceptors
6
Isomeric Smiles
CC(=O)O[C@H]1[C@H]2[C@]3(CCCC2(C)C)CO[C@]1([C@]45[C@H]3C(=O)C[C@H](C4)C(=C)[C@H]5O)O
Canonical Smiles
CC(=O)OC1C2C(CCCC23COC1(C45C3C(=O)CC(C4)C(=C)C5O)O)(C)C
Molecular Weight
390.5 g/mol
Molecular Formula
C22H30O6
Num Rotatable Bonds
1