Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33408
- Core Entity Id
- 40325
- Source Entity Count
- 1
- Preferred Name
- Sinodielide a
- Name En
- Pubchem Id
- 14355827
- Smiles Canonical
- CC1C2CCC(=C3CC=C(C3C2OC1=O)C)C
- Molecular Formula
- C15H20O2
- Molecular Weight
- 232.3230
- Inchikey
- WBHVRMWEPJHOHP-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,10,12-14H,4,6-7H2,1-3H3
- Isomeric Smiles
- CC1C2CCC(=C3CC=C(C3C2OC1=O)C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.2406
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4730
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sinodielide a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sinodielide a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
sinodielide a
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044100
Tcmid
19931
Pub Chem
14355827
Tcmbank
TCMBANKIN046398
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O2/c1-8-4-7-12-10(3)15(16)17-14(12)13-9(2)5-6-11(8)13/h5,10,12-14H,4,6-7H2,1-3H3
Mol Wt
232.323
Smiles
CC1C2CCC(=C3CC=C(C3C2OC1=O)C)C
Mol Log P
3.240600000000002
In Ch Ikey
WBHVRMWEPJHOHP-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/19947.mol2
Reference
4305, 5470
Num Hdonors
0
Drug Likeness
0.473
Num Hacceptors
2
Isomeric Smiles
CC1C2CCC(=C3CC=C(C3C2OC1=O)C)C
Canonical Smiles
CC1C2CCC(=C3CC=C(C3C2OC1=O)C)C
Molecular Weight
232.32 g/mol
Molecular Formula
C15H20O2
Molecular Formula
C15H20O2
Num Rotatable Bonds
0