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
- 34083
- Core Entity Id
- 41079
- Source Entity Count
- 1
- Preferred Name
- (?)-strobopinin
- Name En
- Pubchem Id
- 442520
- Smiles Canonical
- CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)O
- Molecular Formula
- C16H14O4
- Molecular Weight
- 270.2840
- Inchikey
- INBPQAJYHSJVRY-ZDUSSCGKSA-N
- Inchi
- InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1
- Isomeric Smiles
- CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=CC=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1127
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8350
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(?)-strobopinin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(?)-strobopinin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-strobopinin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-strobopinin
Role
alias
Source
itcmdb_public
Preferred
No
Name
491-66-7
Role
alias
Source
HERB_v2
Preferred
No
Name
491-66-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
C09939
Role
alias
Source
HERB_v2
Preferred
No
Name
C09939
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:9292
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:9292
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL227611
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL227611
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID60911547
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID60911547
Role
alias
Source
itcmdb_public
Preferred
No
Name
INBPQAJYHSJVRY-ZDUSSCGKSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
INBPQAJYHSJVRY-ZDUSSCGKSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140187
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK12140187
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4740200
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4740200
Role
alias
Source
itcmdb_public
Preferred
No
Name
Strobopinin
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-strobopinin491-66-7C09939CHEBI:9292CHEMBL227611DTXSID60911547INBPQAJYHSJVRY-ZDUSSCGKSA-NLMPK12140187SCHEMBL4740200Strobopinin
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN044982
Npass
NPC312391
Tcmid
20378
Pub Chem
442520
Tcmbank
TCMBANKIN022690
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O4/c1-9-11(17)7-14-15(16(9)19)12(18)8-13(20-14)10-5-3-2-4-6-10/h2-7,13,17,19H,8H2,1H3/t13-/m0/s1
Mol Wt
270.284
Smiles
CC1=C(C=C2C(=C1O)C(=O)CC(O2)C3=CC=CC=C3)O
Mol Log P
3.112720000000003
In Ch Ikey
INBPQAJYHSJVRY-ZDUSSCGKSA-N
Num Hdonors
2
Drug Likeness
0.835
Num Hacceptors
4
Isomeric Smiles
CC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=CC=CC=C3)O
Canonical Smiles
CC1=C(C2=C(C=C1O)OC(CC2=O)C3=CC=CC=C3)O
Herb Alias Names
StrobopininCHEBI:9292491-66-7(-)-strobopininC09939CHEMBL227611SCHEMBL4740200DTXSID60911547INBPQAJYHSJVRY-ZDUSSCGKSA-NLMPK12140187
Molecular Formula
C16H14O4
Molecular Formula
C16H14O4
Num Rotatable Bonds
1