Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14079
- Core Entity Id
- 18817
- Source Entity Count
- 1
- Preferred Name
- Cepharosporolide c
- Name En
- Pubchem Id
- 44575720
- Smiles Canonical
- CC1CCC(=O)CC(C(CC(=O)O1)O)O
- Molecular Formula
- C10H16O5
- Molecular Weight
- 216.2330
- Inchikey
- JTOYXZZLKBAIEJ-YEPSODPASA-N
- Inchi
- InChI=1S/C10H16O5/c1-6-2-3-7(11)4-8(12)9(13)5-10(14)15-6/h6,8-9,12-13H,2-5H2,1H3/t6-,8+,9+/m1/s1
- Isomeric Smiles
- C[C@@H]1CCC(=O)C[C@@H]([C@H](CC(=O)O1)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.2170
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.5470
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cepharosporolide C
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cepharosporolide c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cepharosporolide c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cepharosporolide c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(4S,5S,10R)-4,5-dihydroxy-10-methyloxecane-2,7-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4S,5S,10R)-4,5-dihydroxy-10-methyloxecane-2,7-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:224071
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:224071
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL485063
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL485063
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cephalosporolide C
Role
alias
Source
HERB_v2
Preferred
No
Name
Cephalosporolide C
Role
alias
Source
itcmdb_public
Preferred
No
Name
cepharosporolides C
Role
alias
Source
itcmdb_public
Preferred
No
Name
cepharosporolides C
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4S,5S,10R)-4,5-dihydroxy-10-methyloxecane-2,7-dioneCHEBI:224071CHEMBL485063Cephalosporolide Ccepharosporolides C
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020126
Npass
NPC64162
Tcmid
3413
Pub Chem
44575720
Tcmbank
TCMBANKIN041339
Etcm Ingredient
Cepharosporolide C
Itcmdb Generated
ITX-INGREDIENT-E91393F536F0
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C10H16O5/c1-6-2-3-7(11)4-8(12)9(13)5-10(14)15-6/h6,8-9,12-13H,2-5H2,1H3/t6-,8+,9+/m1/s1
Mol Wt
216.233
Smiles
CC1CCC(=O)CC(C(CC(=O)O1)O)O
Mol Log P
-0.217
In Ch Ikey
JTOYXZZLKBAIEJ-YEPSODPASA-N
Mol2 Path
/TCM_database/2007_3d_all/03413.mol2
Reference
4784
Num Hdonors
2
Drug Likeness
0.547
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1CCC(=O)C[C@@H]([C@H](CC(=O)O1)O)O
Canonical Smiles
CC1CCC(=O)CC(C(CC(=O)O1)O)O
Herb Alias Names
Cephalosporolide Ccepharosporolides CCHEMBL485063CHEBI:224071(4S,5S,10R)-4,5-dihydroxy-10-methyloxecane-2,7-dione
Molecular Weight
198.090
Molecular Formula
C10H14O4
Molecular Formula
C10H16O5
Molecular Formula
C10H16O5
Num Rotatable Bonds
0
Fda Maximum Daily Dose (Fdamdd)
0.180
Quantitative Estimate Of Drug Likeness（Qed）
0.544