Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15500
- Core Entity Id
- 20396
- Source Entity Count
- 1
- Preferred Name
- Cuchiloside
- Name En
- Pubchem Id
- 11972324
- Smiles Canonical
- C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)O)O
- Molecular Formula
- C19H28O11
- Molecular Weight
- 432.4220
- Inchikey
- COATVAWKNHHMEI-BMVMOQKNSA-N
- Inchi
- InChI=1S/C19H28O11/c20-10-3-1-9(2-4-10)5-6-27-19-17(26)15(24)14(23)12(30-19)8-29-18-16(25)13(22)11(21)7-28-18/h1-4,11-26H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1
- Isomeric Smiles
- C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.7855
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.2370
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cuchiloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cuchiloside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cuchiloside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Cuchiloside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cuchiloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
马钱子
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MA QIAN ZI
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Nut-vomitive Poisonnut
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
马钱子MA QIAN ZINut-vomitive Poisonnut
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021836
Npass
NPC264892
Tcmid
4310
Sym Map
SMIT14808
Pub Chem
11972324
Tcmbank
TCMBANKIN005481TCMBANKIN051082
Etcm Ingredient
Cuchiloside
Itcmdb Generated
ITX-INGREDIENT-0715211F53B9ITX-INGREDIENT-9BBAEB7F29E6
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C19H28O11/c20-10-3-1-9(2-4-10)5-6-27-19-17(26)15(24)14(23)12(30-19)8-29-18-16(25)13(22)11(21)7-28-18/h1-4,11-26H,5-8H2/t11-,12-,13+,14-,15+,16-,17-,18+,19-/m1/s1
Mol Wt
432.422
Smiles
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)O)O
Mol Log P
-2.785499999999997
Version
v1,v2
In Ch Ikey
COATVAWKNHHMEI-BMVMOQKNSA-N
Suppress
0
Tcm Name
马钱子
Tcm Name2
MA QIAN ZI
Mol2 Path
/TCM_database/2003_3d_all/1735.mol2
Reference
2
Num Hdonors
7
Tcm Name En
Nut-vomitive Poisonnut
Drug Likeness
0.237
Num Hacceptors
11
Isomeric Smiles
C1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OCCC3=CC=C(C=C3)O)O)O)O)O)O)O
Canonical Smiles
C1C(C(C(C(O1)OCC2C(C(C(C(O2)OCCC3=CC=C(C=C3)O)O)O)O)O)O)O
Molecular Weight
432.160
Molecule Formula
C19H28O11
Molecular Formula
C19H28O11
Molecular Formula
C19H28O11
Molecular Formula
C19H28O11
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.003
Quantitative Estimate Of Drug Likeness（Qed）
0.237