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
- 20341
- Core Entity Id
- 25789
- Source Entity Count
- 1
- Preferred Name
- Glepidotin d
- Name En
- Pubchem Id
- 486505
- Smiles Canonical
- CC(=CCC1=C(C=C(C=C1OCC=C(C)C)CCC2=CC(=CC=C2)O)O)C
- Molecular Formula
- C24H30O3
- Molecular Weight
- 366.5010
- Inchikey
- PXJDPPLCQZVKRC-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H30O3/c1-17(2)8-11-22-23(26)15-20(16-24(22)27-13-12-18(3)4)10-9-19-6-5-7-21(25)14-19/h5-8,12,14-16,25-26H,9-11,13H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=C(C=C(C=C1OCC=C(C)C)CCC2=CC(=CC=C2)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 5.7367
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.5860
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Glepidotin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Glepidotin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
glepidotin d
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-(3-Methyl-2-butenyl)-3-O-(3-methyl-2-butenyl)-5-[2-(3-hydroxyphenyl)ethyl]-1,3-benzenediol
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-(3-Methyl-2-butenyl)-3-O-(3-methyl-2-butenyl)-5-[2-(3-hydroxyphenyl)ethyl]-1,3-benzenediol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-(2-(3-hydroxyphenyl)ethyl)-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[2-(3-Hydroxy-phenyl)-ethyl]-2-(3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyloxy)-phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[2-(3-Hydroxy-phenyl)-ethyl]-2-(3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyloxy)-phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[2-(3-hydroxyphenyl)ethyl]-2-(3-methylbut-2-en-1-yl)-3-[(3-methylbut-2-en-1-yl)oxy]phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-[2-(3-hydroxyphenyl)ethyl]-2-(3-methylbut-2-en-1-yl)-3-[(3-methylbut-2-en-1-yl)oxy]phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[2-(3-hydroxyphenyl)ethyl]-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
phenol, 5-(2-(3-hydroxyphenyl)ethyl)-2-(3-methyl-2-butenyl)-3-((3-methyl-2-butenyl)oxy)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
phenol, 5-[2-(3-hydroxyphenyl)ethyl]-2-(3-methyl-2-butenyl)-3-[(3-methyl-2-butenyl)oxy]-
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
2-(3-Methyl-2-butenyl)-3-O-(3-methyl-2-butenyl)-5-[2-(3-hydroxyphenyl)ethyl]-1,3-benzenediol5-(2-(3-hydroxyphenyl)ethyl)-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenol5-[2-(3-Hydroxy-phenyl)-ethyl]-2-(3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyloxy)-phenol5-[2-(3-hydroxyphenyl)ethyl]-2-(3-methylbut-2-en-1-yl)-3-[(3-methylbut-2-en-1-yl)oxy]phenol5-[2-(3-hydroxyphenyl)ethyl]-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenolphenol, 5-(2-(3-hydroxyphenyl)ethyl)-2-(3-methyl-2-butenyl)-3-((3-methyl-2-butenyl)oxy)-phenol, 5-[2-(3-hydroxyphenyl)ethyl]-2-(3-methyl-2-butenyl)-3-[(3-methyl-2-butenyl)oxy]-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN027960
Npass
NPC238221
Tcmid
8550
Pub Chem
486505
Tcmbank
TCMBANKIN043822
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H30O3/c1-17(2)8-11-22-23(26)15-20(16-24(22)27-13-12-18(3)4)10-9-19-6-5-7-21(25)14-19/h5-8,12,14-16,25-26H,9-11,13H2,1-4H3
Mol Wt
366.501
Smiles
CC(=CCC1=C(C=C(C=C1OCC=C(C)C)CCC2=CC(=CC=C2)O)O)C
Mol Log P
5.736700000000007
In Ch Ikey
PXJDPPLCQZVKRC-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/08551.mol2
Reference
5180
Num Hdonors
2
Drug Likeness
0.586
Num Hacceptors
3
Isomeric Smiles
CC(=CCC1=C(C=C(C=C1OCC=C(C)C)CCC2=CC(=CC=C2)O)O)C
Canonical Smiles
CC(=CCC1=C(C=C(C=C1OCC=C(C)C)CCC2=CC(=CC=C2)O)O)C
Herb Alias Names
5-[2-(3-hydroxyphenyl)ethyl]-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenolphenol, 5-[2-(3-hydroxyphenyl)ethyl]-2-(3-methyl-2-butenyl)-3-[(3-methyl-2-butenyl)oxy]-5-[2-(3-Hydroxy-phenyl)-ethyl]-2-(3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyloxy)-phenol2-(3-Methyl-2-butenyl)-3-O-(3-methyl-2-butenyl)-5-[2-(3-hydroxyphenyl)ethyl]-1,3-benzenediol5-[2-(3-hydroxyphenyl)ethyl]-2-(3-methylbut-2-en-1-yl)-3-[(3-methylbut-2-en-1-yl)oxy]phenol5-(2-(3-hydroxyphenyl)ethyl)-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenolphenol, 5-(2-(3-hydroxyphenyl)ethyl)-2-(3-methyl-2-butenyl)-3-((3-methyl-2-butenyl)oxy)-2-(3-Methyl-2-butenyl)-3-O-(3-methyl-2-butenyl)-5-(2-(3-hydroxyphenyl)ethyl)-1,3-benzenediol5-(2-(3-Hydroxy-phenyl)-ethyl)-2-(3-methyl-but-2-enyl)-3-(3-methyl-but-2-enyloxy)-phenol
Molecular Weight
366.5 g/mol
Molecular Formula
C24H30O3
Molecular Formula
C24H30O3
Num Rotatable Bonds
8