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
- 6158
- Core Entity Id
- 10028
- Source Entity Count
- 1
- Preferred Name
- 4-methoxycephalospolide g
- Name En
- Pubchem Id
- 11253214
- Smiles Canonical
- CC1CCC(=O)CC(C(CC(=O)O1)O)OC
- Molecular Formula
- C11H18O5
- Molecular Weight
- 230.2600
- Inchikey
- RKWVKFFFOYCNSI-FKTZTGRPSA-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-methoxycephalospolide g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
4-methoxycephalospolide g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(4S,5R,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione
Role
alias
Source
itcmdb_public
Preferred
No
Name
(4S,5R,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:208299
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:208299
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL450360
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL450360
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(4S,5R,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dioneCHEBI:208299CHEMBL450360
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010632
Npass
NPC262919
Tcmid
10426
Pub Chem
11253214
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-FKTZTGRPSA-N
Num Hdonors
1
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
CHEMBL450360CHEBI:208299(4S,5R,10R)-4-hydroxy-5-methoxy-10-methyloxecane-2,7-dione
Molecular Formula
C11H18O5
Num Rotatable Bonds
1