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: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 33412
- Core Entity Id
- 40330
- Source Entity Count
- 1
- Preferred Name
- Sinodielide e
- Name En
- Pubchem Id
- 10869074
- Smiles Canonical
- CC1=CC(C23C1C4C(=C(C(=O)O4)C)CCC2(O3)C)O
- Molecular Formula
- C15H18O4
- Molecular Weight
- 262.3050
- Inchikey
- LSXMHNJGHRDFGB-YGJURIOFSA-N
- Inchi
- InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,10-12,16H,4-5H2,1-3H3/t10-,11-,12+,14?,15?/m1/s1
- Isomeric Smiles
- CC1=C[C@H](C23[C@H]1[C@@H]4C(=C(C(=O)O4)C)CCC2(O3)C)O
- 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 e
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Sinodielide e
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sinodielide e
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sinodielide f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
sinodielide f
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
Sinodielide f
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044104HBIN044105
Npass
NPC160079NPC102435
Tcmid
1993519936
Pub Chem
1086907411065241
Tcmbank
TCMBANKIN047238TCMBANKIN041799
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H18O4/c1-7-6-10(16)15-11(7)12-9(8(2)13(17)18-12)4-5-14(15,3)19-15/h6,10-12,16H,4-5H2,1-3H3/t10-,11-,12+,14?,15?/m1/s1
Mol Wt
262.3049999999999
Smiles
CC1=CC(C23C1C4C(=C(C(=O)O4)C)CCC2(O3)C)O
Mol Log P
1.4868
In Ch Ikey
LSXMHNJGHRDFGB-YGJURIOFSA-N
Mol2 Path
/TCM_database/2007_3d_all/19951.mol2
Reference
4336
Num Hdonors
1
Drug Likeness
0.408
Num Hacceptors
4
Isomeric Smiles
CC1=C[C@H](C23[C@H]1[C@@H]4C(=C(C(=O)O4)C)CCC2(O3)C)O
Canonical Smiles
CC1=CC(C23C1C4C(=C(C(=O)O4)C)CCC2(O3)C)O
Molecular Weight
262.3 g/mol
Molecular Formula
C15H18O4
Molecular Formula
C15H18O4
Num Rotatable Bonds
0