Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 2Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18139
- Core Entity Id
- 23337
- Source Entity Count
- 1
- Preferred Name
- Enterodiol
- Name En
- Pubchem Id
- 115089
- Smiles Canonical
- C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO
- Molecular Formula
- C18H22O4
- Molecular Weight
- 302.3700
- Inchikey
- DWONJCNDULPHLV-HOTGVXAUSA-N
- Inchi
- InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1
- Isomeric Smiles
- C1=CC(=CC(=C1)O)C[C@@H](CO)[C@@H](CC2=CC(=CC=C2)O)CO
- Cas Id
- Ob Score
- Mol Logp
- 2.1000
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Enterodiol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Enterodiol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
enterodiol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Enterodiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Enterodiol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
80226-00-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
80226-00-2
Role
alias
Source
HERB_v2
Preferred
No
Name
Arbo 9
Role
alias
Source
HERB_v2
Preferred
No
Name
Arbo 9
Role
alias
Source
itcmdb_public
Preferred
No
Name
BZF4X2AWRP
Role
alias
Source
HERB_v2
Preferred
No
Name
BZF4X2AWRP
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 8460
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 8460
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID0047876
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID0047876
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-BZF4X2AWRP
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-BZF4X2AWRP
Role
alias
Source
itcmdb_public
Preferred
No
Name
rac Enterodiol
Role
alias
Source
itcmdb_public
Preferred
No
Name
rac Enterodiol
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Enterodiol(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diol80226-00-2Arbo 9BZF4X2AWRPCCRIS 8460DTXSID0047876UNII-BZF4X2AWRPrac Enterodiol
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025187
Npass
NPC323810
Tcm Id
1284412845
Pub Chem
115089
Tcmbank
TCMBANKIN036253
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H22O4/c19-11-15(7-13-3-1-5-17(21)9-13)16(12-20)8-14-4-2-6-18(22)10-14/h1-6,9-10,15-16,19-22H,7-8,11-12H2/t15-,16-/m0/s1
Mol Wt
302.37
Smiles
C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO
Mol Log P
2.099999999999999
In Ch Ikey
DWONJCNDULPHLV-HOTGVXAUSA-N
Num Hdonors
4
Drug Likeness
0.631
Num Hacceptors
4
Isomeric Smiles
C1=CC(=CC(=C1)O)C[C@@H](CO)[C@@H](CC2=CC(=CC=C2)O)CO
Canonical Smiles
C1=CC(=CC(=C1)O)CC(CO)C(CC2=CC(=CC=C2)O)CO
Herb Alias Names
(-)-Enterodiol80226-00-2rac EnterodiolArbo 9(2R,3R)-2,3-bis[(3-hydroxyphenyl)methyl]butane-1,4-diolBZF4X2AWRPUNII-BZF4X2AWRPCCRIS 8460DTXSID0047876
Molecular Weight
302.4 g/mol
Molecular Formula
C18H22O4
Molecular Formula
C18H22O4
Num Rotatable Bonds
7