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
- 31565
- Core Entity Id
- 38272
- Source Entity Count
- 1
- Preferred Name
- Rabdoternin g
- Name En
- Pubchem Id
- 101663495
- Smiles Canonical
- CC1(CCC(C23C1C(C(C45C2C(CC(C4)C(=C)C5=O)O)(OC3OC)O)O)O)C
- Molecular Formula
- C21H30O7
- Molecular Weight
- 394.4640
- Inchikey
- RBQOWGQGMNLZHR-PWWRJZSBSA-N
- Inchi
- InChI=1S/C21H30O7/c1-9-10-7-11(22)13-19(8-10,15(9)24)21(26)16(25)14-18(2,3)6-5-12(23)20(13,14)17(27-4)28-21/h10-14,16-17,22-23,25-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,14-,16+,17?,19+,20?,21-/m1/s1
- Isomeric Smiles
- CC1(CC[C@@H](C23[C@@H]1[C@@H]([C@]([C@]45[C@H]2[C@H](C[C@H](C4)C(=C)C5=O)O)(OC3OC)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 0.3481
- Num H Donors
- 4
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Rabdoternin G
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Rabdoternin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rabdoternin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
牛尾草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
NIU WEI CAO XIANG CHA CAI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Ternateleaf Rabdosia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
牛尾草NIU WEI CAO XIANG CHA CAITernateleaf Rabdosia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN041876
Npass
NPC56140
Tcmid
18492
Pub Chem
101663495
Tcmbank
TCMBANKIN049002
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H30O7/c1-9-10-7-11(22)13-19(8-10,15(9)24)21(26)16(25)14-18(2,3)6-5-12(23)20(13,14)17(27-4)28-21/h10-14,16-17,22-23,25-26H,1,5-8H2,2-4H3/t10-,11+,12+,13-,14-,16+,17?,19+,20?,21-/m1/s1
Mol Wt
394.4640000000001
Mol Log P
0.3480999999999997
In Ch Ikey
RBQOWGQGMNLZHR-PWWRJZSBSA-N
Tcm Name
牛尾草
Tcm Name2
NIU WEI CAO XIANG CHA CAI
Mol2 Path
/TCM_database/2007_3d_all/18507.mol2
Reference
4067
Num Hdonors
4
Tcm Name En
Ternateleaf Rabdosia
Drug Likeness
0.474
Num Hacceptors
7
Isomeric Smiles
CC1(CC[C@@H](C23[C@@H]1[C@@H]([C@]([C@]45[C@H]2[C@H](C[C@H](C4)C(=C)C5=O)O)(OC3OC)O)O)O)C
Canonical Smiles
CC1(CCC(C23C1C(C(C45C2C(CC(C4)C(=C)C5=O)O)(OC3OC)O)O)O)C
Molecular Weight
394.5 g/mol
Molecular Formula
C21H30O7
Num Rotatable Bonds
1