Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Target: 11Links: 26
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16638
- Core Entity Id
- 21662
- Source Entity Count
- 1
- Preferred Name
- Des-o-methyllasiodiplodin
- Name En
- Pubchem Id
- 14562695
- Smiles Canonical
- CC1CCCCCCCC2=C(C(=CC(=C2)O)O)C(=O)O1
- Molecular Formula
- C15H20O4
- Molecular Weight
- 264.3210
- Inchikey
- CSPXAUIPCGDIQH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H20O4/c16-12-9-11-7-5-3-1-2-4-6-8-19-15(18)14(11)13(17)10-12/h9-10,16-17H,1-8H2
- Isomeric Smiles
- C1CCCCOC(=O)C2=C(CCC1)C=C(C=C2O)O
- Cas Id
- Ob Score
- 30.1197
- Mol Logp
- 3.1513
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 0
- Drug Likeness
- 0.7060
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Des-O-Methyllasiodiplodin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Des-O-methyllasiodiplodin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Des-O-methyllasiodiplodin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Des-o-methyllasiodiplodin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Des-o-methyllasiodiplodin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
新藏假紫草
Role
TCM_name
Source
TCMBank
Preferred
No
Name
XIN ZANG JIA ZI CAO
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Sinkiang-Tibet Arnebia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
13,15-dihydroxy-10-oxabicyclo[10.4.0]hexadeca-1(16),12,14-trien-11-one
Role
alias
Source
TCMBank
Preferred
No
Name
AC1NSUF7
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1669771
Role
alias
Source
TCMBank
Preferred
No
Name
CHEMBL1669771
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1669771
Role
alias
Source
itcmdb_public
Preferred
No
Name
des-o-methyllasiodiplodin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
新藏假紫草XIN ZANG JIA ZI CAOSinkiang-Tibet Arnebia13,15-dihydroxy-10-oxabicyclo[10.4.0]hexadeca-1(16),12,14-trien-11-oneAC1NSUF7CHEMBL1669771
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023492
Npass
NPC263982
Tcmid
5257
Tcmsp
MOL007735
Sym Map
SMIT09114SMIT15010
Pub Chem
145626955316596
Tcmbank
TCMBANKIN045920
Etcm Ingredient
Des-O-methyllasiodiplodin
Itcmdb Generated
ITX-INGREDIENT-A25EA7A3A953
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H20O4/c16-12-9-11-7-5-3-1-2-4-6-8-19-15(18)14(11)13(17)10-12/h9-10,16-17H,1-8H2
Mol Wt
264.321
Mol Log P
3.151300000000003
Version
v1,v2
In Ch Ikey
CSPXAUIPCGDIQH-UHFFFAOYSA-N
Ob Score
30.11965530.1196554830.12
Suppress
1
Tcm Name
新藏假紫草
Tcm Name2
XIN ZANG JIA ZI CAO
Mol2 Path
/TCM_database/2007_3d_all/05258.mol2
Reference
2193
Num Hdonors
2
Tcm Name En
Sinkiang-Tibet Arnebia
Drug Likeness
0.706
Num Hacceptors
4
Isomeric Smiles
C1CCCCOC(=O)C2=C(CCC1)C=C(C=C2O)O
Molecule Weight
278.38
Canonical Smiles
C1CCCCOC(=O)C2=C(CCC1)C=C(C=C2O)O
Herb Alias Names
CHEMBL1669771
Molecular Weight
278.150
Molecular Weight
264.32 g/mol
Molecule Formula
C16H22O4
Molecular Formula
C16H22O4
Molecular Formula
C15H20O4
Num Rotatable Bonds
0
Link Ingredient Id
9114.0
Fda Maximum Daily Dose (Fdamdd)
0.727
Quantitative Estimate Of Drug Likeness（Qed）
0.712