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: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 9675
- Core Entity Id
- 13921
- Source Entity Count
- 1
- Preferred Name
- Adenostemmoic acid c
- Name En
- Pubchem Id
- 14610566
- Smiles Canonical
- CC12CCCC(C1CCC34C2C(CC(C3)C(C4O)(CO)O)O)(C)C(=O)O
- Molecular Formula
- C20H32O6
- Molecular Weight
- 368.4700
- Inchikey
- RHWBQGFFSHIXKI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C20H32O6/c1-17-5-3-6-18(2,16(24)25)13(17)4-7-19-9-11(8-12(22)14(17)19)20(26,10-21)15(19)23/h11-15,21-23,26H,3-10H2,1-2H3,(H,24,25)
- Isomeric Smiles
- CC12CCCC(C1CCC34C2C(CC(C3)C(C4O)(CO)O)O)(C)C(=O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.1489
- Num H Donors
- 5
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.4990
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Adenostemmoic Acid C
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Adenostemmoic Acid C
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Adenostemmoic acid c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Adenostemmoic acid c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
adenostemmoic acid c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
130217-18-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
130217-18-4
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
130217-18-4
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN014705
Tcmid
24816
Sym Map
SMIT22204
Tcm Id
7152
Pub Chem
1461056623260137
Tcmbank
TCMBANKIN014918
Itcmdb Generated
ITX-INGREDIENT-D76A2DAB10E2
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C20H32O6/c1-17-5-3-6-18(2,16(24)25)13(17)4-7-19-9-11(8-12(22)14(17)19)20(26,10-21)15(19)23/h11-15,21-23,26H,3-10H2,1-2H3,(H,24,25)
Mol Wt
368.4700000000001
Smiles
CC12CCCC(C1CCC34C2C(CC(C3)C(C4O)(CO)O)O)(C)C(=O)O
Mol Log P
1.1489
Version
v2
In Ch Ikey
RHWBQGFFSHIXKI-UHFFFAOYSA-N
Suppress
0
Num Hdonors
5
Drug Likeness
0.499
Num Hacceptors
5
Isomeric Smiles
CC12CCCC(C1CCC34C2C(CC(C3)C(C4O)(CO)O)O)(C)C(=O)O
Canonical Smiles
CC12CCCC(C1CCC34C2C(CC(C3)C(C4O)(CO)O)O)(C)C(=O)O
Herb Alias Names
130217-18-4
Molecular Weight
368.5 g/mol
Molecular Formula
C20H32O6
Molecular Formula
C20H32O6
Num Rotatable Bonds
2