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
- 34562
- Core Entity Id
- 41611
- Source Entity Count
- 1
- Preferred Name
- Tatsinine
- Name En
- Pubchem Id
- 98105485
- Smiles Canonical
- CCN1CC2(CCC(C34C2CC(C31)(C5(CC(C6CC4C5(C6O)O)OC)O)O)O)C
- Molecular Formula
- C22H35NO6
- Molecular Weight
- 409.5230
- Inchikey
- SAENAALZZONVML-BZUGHYTCSA-N
- Inchi
- InChI=1S/C22H35NO6/c1-4-23-10-18(2)6-5-15(24)21-13-7-11-12(29-3)8-20(27,22(13,28)16(11)25)19(26,17(21)23)9-14(18)21/h11-17,24-28H,4-10H2,1-3H3/t11-,12-,13-,14+,15-,16-,17+,18-,19-,20-,21+,22-/m0/s1
- Isomeric Smiles
- CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@]([C@H]31)([C@]5(C[C@@H]([C@@H]6C[C@@H]4[C@@]5([C@H]6O)O)OC)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- -0.5196
- Num H Donors
- 5
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tatsinine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tatsinine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Tatsinine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
康定翠雀花
Role
TCM_name
Source
TCMBank
Preferred
No
Name
KANG DING CUI QUE HUA
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Kangting Larkspur
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
90038-21-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
90038-21-4
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763146
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040763146
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
康定翠雀花KANG DING CUI QUE HUAKangting Larkspur90038-21-4AKOS040763146
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045574
Tcmid
20712
Pub Chem
98105485
Tcmbank
TCMBANKIN049645
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H35NO6/c1-4-23-10-18(2)6-5-15(24)21-13-7-11-12(29-3)8-20(27,22(13,28)16(11)25)19(26,17(21)23)9-14(18)21/h11-17,24-28H,4-10H2,1-3H3/t11-,12-,13-,14+,15-,16-,17+,18-,19-,20-,21+,22-/m0/s1
Mol Wt
409.5230000000001
Mol Log P
-0.5195999999999987
In Ch Ikey
SAENAALZZONVML-BZUGHYTCSA-N
Tcm Name
康定翠雀花
Tcm Name2
KANG DING CUI QUE HUA
Mol2 Path
/TCM_database/2007_3d_all/20728.mol2
Reference
660
Num Hdonors
5
Tcm Name En
Kangting Larkspur
Drug Likeness
0.417
Num Hacceptors
7
Isomeric Smiles
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@]([C@H]31)([C@]5(C[C@@H]([C@@H]6C[C@@H]4[C@@]5([C@H]6O)O)OC)O)O)O)C
Canonical Smiles
CCN1CC2(CCC(C34C2CC(C31)(C5(CC(C6CC4C5(C6O)O)OC)O)O)O)C
Herb Alias Names
90038-21-4AKOS040763146
Molecular Formula
C22H35NO6
Num Rotatable Bonds
2