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
- 11507
- Core Entity Id
- 15959
- Source Entity Count
- 1
- Preferred Name
- Artecalin
- Name En
- Pubchem Id
- 101245659
- Smiles Canonical
- CC1C2C3C(CCC2(C(CC1=O)O)C)C(=C)C(=O)O3
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- CDBASCXKUBOQGK-DYTVFZPVSA-N
- Inchi
- InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h8-9,11-13,17H,1,4-6H2,2-3H3/t8-,9+,11-,12?,13+,15+/m1/s1
- Isomeric Smiles
- C[C@H]1C2[C@@H]3[C@@H](CC[C@]2([C@@H](CC1=O)O)C)C(=C)C(=O)O3
- Cas Id
- Ob Score
- Mol Logp
- 1.4703
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Artecalin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Artecalin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Artecalin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Artecalin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
artecalin
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016938
Npass
NPC104652
Tcmid
32338
Sym Map
SMIT22422
Pub Chem
101245659
Tcmbank
TCMBANKIN024990
Itcmdb Generated
ITX-INGREDIENT-D05CC808E0EC
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H20O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h8-9,11-13,17H,1,4-6H2,2-3H3/t8-,9+,11-,12?,13+,15+/m1/s1
Mol Wt
264.321
Smiles
CC1C2C3C(CCC2(C(CC1=O)O)C)C(=C)C(=O)O3
Mol Log P
1.4703
Version
v2
In Ch Ikey
CDBASCXKUBOQGK-DYTVFZPVSA-N
Suppress
0
Num Hdonors
1
Drug Likeness
0.531
Num Hacceptors
4
Isomeric Smiles
C[C@H]1C2[C@@H]3[C@@H](CC[C@]2([C@@H](CC1=O)O)C)C(=C)C(=O)O3
Canonical Smiles
CC1C2C3C(CCC2(C(CC1=O)O)C)C(=C)C(=O)O3
Molecular Weight
264.32 g/mol
Molecular Formula
C15H20O4
Molecular Formula
C15H20O4
Num Rotatable Bonds
0