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
- 33415
- Core Entity Id
- 40333
- Source Entity Count
- 1
- Preferred Name
- Sinodielide h
- Name En
- Pubchem Id
- 10999861
- Smiles Canonical
- CC1=C2C(C3C(=C(C(=O)O3)C)CC1)C4(C(C2O)O4)C
- Molecular Formula
- C15H18O4
- Molecular Weight
- 262.3050
- Inchikey
- KWHUZPFULRFJGB-UZIWQXISSA-N
- Inchi
- InChI=1S/C15H18O4/c1-6-4-5-8-7(2)14(17)18-12(8)10-9(6)11(16)13-15(10,3)19-13/h10-13,16H,4-5H2,1-3H3/t10-,11?,12-,13-,15+/m0/s1
- Isomeric Smiles
- CC1=C2[C@@H]([C@@H]3C(=C(C(=O)O3)C)CC1)[C@@]4([C@H](C2O)O4)C
- Cas Id
- Ob Score
- Mol Logp
- 1.4868
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.4080
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sinodielide h
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sinodielide h
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sinodielide h
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044107
Npass
NPC264261
Tcmid
19938
Pub Chem
10999861
Tcmbank
TCMBANKIN038783
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O4/c1-6-4-5-8-7(2)14(17)18-12(8)10-9(6)11(16)13-15(10,3)19-13/h10-13,16H,4-5H2,1-3H3/t10-,11?,12-,13-,15+/m0/s1
Mol Wt
262.3049999999999
Smiles
CC1=C2C(C3C(=C(C(=O)O3)C)CC1)C4(C(C2O)O4)C
Mol Log P
1.4868
In Ch Ikey
KWHUZPFULRFJGB-UZIWQXISSA-N
Mol2 Path
/TCM_database/2007_3d_all/19954.mol2
Reference
4336
Num Hdonors
1
Drug Likeness
0.408
Num Hacceptors
4
Isomeric Smiles
CC1=C2[C@@H]([C@@H]3C(=C(C(=O)O3)C)CC1)[C@@]4([C@H](C2O)O4)C
Canonical Smiles
CC1=C2C(C3C(=C(C(=O)O3)C)CC1)C4(C(C2O)O4)C
Molecular Weight
262.3 g/mol
Molecular Formula
C15H18O4
Molecular Formula
C15H18O4
Num Rotatable Bonds
0