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
- 34517
- Core Entity Id
- 41560
- Source Entity Count
- 1
- Preferred Name
- Tanwusine
- Name En
- Pubchem Id
- 137117238
- Smiles Canonical
- CC12CC(CC34C1C5CC67C3C(C(CC6C4N5C2)C(=C)C7O)O)O
- Molecular Formula
- C20H27NO3
- Molecular Weight
- 329.4400
- Inchikey
- FJCOIQMSSHLYSS-PQRLWUAVSA-N
- Inchi
- InChI=1S/C20H27NO3/c1-8-10-3-11-16-20-5-9(22)4-18(2)7-21(16)12(14(18)20)6-19(11,17(8)24)15(20)13(10)23/h9-17,22-24H,1,3-7H2,2H3/t9-,10+,11?,12+,13-,14+,15+,16?,17-,18-,19?,20?/m0/s1
- Isomeric Smiles
- C[C@@]12C[C@@H](CC34[C@@H]1[C@H]5CC67[C@H]3[C@H]([C@H](CC6C4N5C2)C(=C)[C@@H]7O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 0.7640
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5740
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Tanwusine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Tanwusine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
tanwusine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
34692-47-2
Role
alias
Source
HERB_v2
Preferred
No
Name
34692-47-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hetisan-2,11,15-triol, (2alpha,11beta,15beta)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Hetisan-2,11,15-triol, (2alpha,11beta,15beta)-
Role
alias
Source
HERB_v2
Preferred
No
Name
Sanyonamine; 11beta-hydroxy
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
34692-47-2Hetisan-2,11,15-triol, (2alpha,11beta,15beta)-Sanyonamine; 11beta-hydroxy
Cross References
Trusted external identifiers retained for this final record.
Cas
34692-47-2
Herb
HBIN045514HBIN043079
Npass
NPC61252
Tcmid
20673
Tcm Id
1247
Pub Chem
13711723875124250
Tcmbank
TCMBANKIN048671
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H27NO3/c1-8-10-3-11-16-20-5-9(22)4-18(2)7-21(16)12(14(18)20)6-19(11,17(8)24)15(20)13(10)23/h9-17,22-24H,1,3-7H2,2H3/t9-,10+,11?,12+,13-,14+,15+,16?,17-,18-,19?,20?/m0/s1
Mol Wt
329.4400000000001
Smiles
CC12CC(CC34C1C5CC67C3C(C(CC6C4N5C2)C(=C)C7O)O)O
Mol Log P
0.7639999999999998
In Ch Ikey
FJCOIQMSSHLYSS-PQRLWUAVSA-N
Mol2 Path
/TCM_database/2007_3d_all/20689.mol2
Reference
660
Num Hdonors
3
Drug Likeness
0.574
Num Hacceptors
4
Isomeric Smiles
C[C@@]12C[C@@H](CC34[C@@H]1[C@H]5CC67[C@H]3[C@H]([C@H](CC6C4N5C2)C(=C)[C@@H]7O)O)O
Canonical Smiles
CC12CC(CC34C1C5CC67C3C(C(CC6C4N5C2)C(=C)C7O)O)O
Herb Alias Names
Hetisan-2,11,15-triol, (2alpha,11beta,15beta)-34692-47-2
Molecular Weight
329.4 g/mol
Molecular Formula
C20H27NO3
Molecular Formula
C20H27NO3
Num Rotatable Bonds
0