Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Meta-analysis: 1Reference: 1Target: 3Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18140
- Core Entity Id
- 23338
- Source Entity Count
- 1
- Preferred Name
- Enterolactone
- Name En
- Pubchem Id
- 10685477
- Smiles Canonical
- C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
- Molecular Formula
- C18H18O4
- Molecular Weight
- 298.3380
- Inchikey
- HVDGDHBAMCBBLR-WMLDXEAASA-N
- Inchi
- InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s1
- Isomeric Smiles
- C1[C@@H]([C@H](C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 2.6722
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8520
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Enterolactone
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Enterolactone
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
enterolactone
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+/-)-enterolactone
Role
alias
Source
HERB_v2
Preferred
No
Name
(+/-)-enterolactone
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,4R)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,4R)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-, trans-
Role
alias
Source
HERB_v2
Preferred
No
Name
2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-, trans-
Role
alias
Source
itcmdb_public
Preferred
No
Name
78473-71-9
Role
alias
Source
itcmdb_public
Preferred
No
Name
78473-71-9
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID0048183
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID0048183
Role
alias
Source
itcmdb_public
Preferred
No
Name
Enterolakton
Role
alias
Source
HERB_v2
Preferred
No
Name
Enterolakton
Role
alias
Source
itcmdb_public
Preferred
No
Name
HPMF
Role
alias
Source
HERB_v2
Preferred
No
Name
HPMF
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+/-)-enterolactone(3R,4R)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-, trans-78473-71-9DTXSID0048183EnterolaktonHPMF
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025188
Tcm Id
128461398813989139901399114546147321906019061
Pub Chem
1068547771684354
Tcmbank
TCMBANKIN036801
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H18O4/c19-15-5-1-3-12(8-15)7-14-11-22-18(21)17(14)10-13-4-2-6-16(20)9-13/h1-6,8-9,14,17,19-20H,7,10-11H2/t14-,17+/m0/s1
Mol Wt
298.338
Smiles
C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
Mol Log P
2.672200000000001
In Ch Ikey
HVDGDHBAMCBBLR-WMLDXEAASA-N
Mol2 Path
/TCM_database/2007_3d_all/06812.mol2
Reference
1521, 1582
Num Hdonors
2
Drug Likeness
0.852
Num Hacceptors
4
Isomeric Smiles
C1[C@@H]([C@H](C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
Canonical Smiles
C1C(C(C(=O)O1)CC2=CC(=CC=C2)O)CC3=CC(=CC=C3)O
Herb Alias Names
78473-71-9Enterolakton(3R,4R)-3,4-bis[(3-hydroxyphenyl)methyl]oxolan-2-one(+/-)-enterolactoneDTXSID0048183(-)-Enterolactone(3R,4R)-3,4-bis(3-hydroxybenzyl)dihydrofuran-2(3H)-one2(3H)-Furanone, dihydro-3,4-bis((3-hydroxyphenyl)methyl)-, trans-HPMF
Molecular Weight
298.3 g/mol
Molecular Formula
C18H18O4
Molecular Formula
C18H18O4
Num Rotatable Bonds
4