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
- 20362
- Core Entity Id
- 25811
- Source Entity Count
- 1
- Preferred Name
- Glepidotin c
- Name En
- Pubchem Id
- 442703
- Smiles Canonical
- CC(=C)C(CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)O
- Molecular Formula
- C19H22O3
- Molecular Weight
- 298.3820
- Inchikey
- NOPHUFYTJFIALJ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3
- Isomeric Smiles
- CC(=C)C(CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3625
- Num H Donors
- 3
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 6
- Drug Likeness
- 0.7170
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glepidotin c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glepidotin c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
glepidotin c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
126026-25-3
Role
alias
Source
HERB_v2
Preferred
No
Name
126026-25-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(2-hydroxy-3-methylbut-3-enyl)-5-(2-phenylethyl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
2-(2-hydroxy-3-methylbut-3-enyl)-5-(2-phenylethyl)benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5382
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5382
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10331918
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10331918
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK13090037
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK13090037
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27106745
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27106745
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
126026-25-32-(2-hydroxy-3-methylbut-3-enyl)-5-(2-phenylethyl)benzene-1,3-diolCHEBI:5382DTXSID10331918LMPK13090037Q27106745
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027959
Npass
NPC68876
Tcmid
8549
Pub Chem
442703
Tcmbank
TCMBANKIN014787
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H22O3/c1-13(2)17(20)12-16-18(21)10-15(11-19(16)22)9-8-14-6-4-3-5-7-14/h3-7,10-11,17,20-22H,1,8-9,12H2,2H3
Mol Wt
298.382
Smiles
CC(=C)C(CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)O
Mol Log P
3.362500000000003
In Ch Ikey
NOPHUFYTJFIALJ-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.717
Num Hacceptors
3
Isomeric Smiles
CC(=C)C(CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)O
Canonical Smiles
CC(=C)C(CC1=C(C=C(C=C1O)CCC2=CC=CC=C2)O)O
Herb Alias Names
126026-25-32-(2-hydroxy-3-methylbut-3-enyl)-5-(2-phenylethyl)benzene-1,3-diolCHEBI:5382DTXSID10331918LMPK13090037Q27106745
Molecular Weight
298.4 g/mol
Molecular Formula
C19H22O3
Molecular Formula
C19H22O3
Num Rotatable Bonds
6