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
- 32524
- Core Entity Id
- 39342
- Source Entity Count
- 1
- Preferred Name
- Sanjoinine g2
- Name En
- Pubchem Id
- 177827001
- Smiles Canonical
- CC(C)CC(C(=O)N)NC(=O)C(C(C(C)C)OC1=CC=C(C=C1)C=O)NC(=O)C(CC2=CC=CC=C2)N(C)C
- Molecular Formula
- C30H42N4O5
- Molecular Weight
- 538.3200
- Inchikey
- BTRDGIAPANRNSU-MBKURTIGSA-N
- Inchi
- InChI=1S/C30H42N4O5/c1-19(2)16-24(28(31)36)32-30(38)26(27(20(3)4)39-23-14-12-22(18-35)13-15-23)33-29(37)25(34(5)6)17-21-10-8-7-9-11-21/h7-15,18-20,24-27H,16-17H2,1-6H3,(H2,31,36)(H,32,38)(H,33,37)/t24-,25?,26-,27-/m0/s1
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- 4.2000
- Num H Donors
- 3
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 15
- Drug Likeness
- Polar Surface Area
- 131.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sanjoinine G2
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Sanjoinine G2
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Sanjoinine G2
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Sanjoinine g2
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sanjoinine g2
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sanjoinine g2
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN043045
Tcmid
19279
Sym Map
SMIT17572
Tcmbank
TCMBANKIN038561
Etcm Ingredient
Sanjoinine G2
Itcmdb Generated
ITX-INGREDIENT-025AB585177F
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
Version
v1,v2
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/19294.mol2
Reference
660
Molecular Weight
538.320
Molecular Formula
C30H42N4O5
Fda Maximum Daily Dose (Fdamdd)
0.024
Quantitative Estimate Of Drug Likeness（Qed）
0.299