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: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6055
- Core Entity Id
- 9914
- Source Entity Count
- 1
- Preferred Name
- 4-hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione a
- Name En
- Pubchem Id
- 11310764
- Smiles Canonical
- CC1CCC(=O)CC(C(CC(=O)O1)O)OC
- Molecular Formula
- C11H18O5
- Molecular Weight
- 230.2600
- Inchikey
- RKWVKFFFOYCNSI-JEZHCXPESA-N
- Inchi
- InChI=1S/C11H18O5/c1-7-3-4-8(12)5-10(15-2)9(13)6-11(14)16-7/h7,9-10,13H,3-6H2,1-2H3/t7-,9+,10+/m1/s1
- Isomeric Smiles
- C[C@@H]1CCC(=O)C[C@@H]([C@H](CC(=O)O1)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 0.4371
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.6610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-Hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
蛹虫草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YONG CHONG CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Scarlet Caterpillar Fungus
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(4S)-4-Methoxycepharosporolide C
Role
alias
Source
HERB_v2
Preferred
No
Name
(4S)-4-Methoxycepharosporolide C
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4S,5S,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
(4S,5S,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:198628
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:198628
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL484436
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL484436
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
蛹虫草YONG CHONG CAOScarlet Caterpillar Fungus(4S)-4-Methoxycepharosporolide C(4S,5S,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dioneCHEBI:198628CHEMBL484436
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010496
Npass
NPC9145
Tcmid
10425
Pub Chem
11310764
Tcmbank
TCMBANKIN010087
Etcm Ingredient
4-Hydroxy-5-methoxy-10-methyl-oxecane-2,7-dione A
Itcmdb Generated
ITX-INGREDIENT-8FEFD18AB54AITX-INGREDIENT-A520E57D8061
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C11H18O5/c1-7-3-4-8(12)5-10(15-2)9(13)6-11(14)16-7/h7,9-10,13H,3-6H2,1-2H3/t7-,9+,10+/m1/s1
Mol Wt
230.26
Mol Log P
0.4370999999999999
In Ch Ikey
RKWVKFFFOYCNSI-JEZHCXPESA-N
Tcm Name
蛹虫草
Tcm Name2
YONG CHONG CAO
Mol2 Path
/TCM_database/2007_3d_all/10426.mol2
Reference
4784
Num Hdonors
1
Tcm Name En
Scarlet Caterpillar Fungus
Drug Likeness
0.661
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1CCC(=O)C[C@@H]([C@H](CC(=O)O1)O)OC
Canonical Smiles
CC1CCC(=O)CC(C(CC(=O)O1)O)OC
Herb Alias Names
(4S)-4-Methoxycepharosporolide CCHEMBL484436CHEBI:198628(4S,5S,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione
Molecular Weight
230.120
Molecular Formula
C11H18O5
Molecular Formula
C11H18O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.590
Quantitative Estimate Of Drug Likeness（Qed）
0.661