Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18142
- Core Entity Id
- 23341
- Source Entity Count
- 1
- Preferred Name
- En-tisolariciresinol
- Name En
- Pubchem Id
- 1023563
- Smiles Canonical
- COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
- Molecular Formula
- C20H24O6
- Molecular Weight
- 360.4060
- Inchikey
- OGFXBIXJCWAUCH-WAWZGNHOSA-N
- Inchi
- InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m1/s1
- Isomeric Smiles
- COC1=C(C=C2[C@H]([C@@H]([C@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 2.0200
- Num H Donors
- 4
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.6510
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
En-tisolariciresinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
En-tisolariciresinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
en-tisolariciresinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Isolariciresinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Isolariciresinol
Role
alias
Source
HERB_v2
Preferred
No
Name
(6S,7S,8R)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6S,7S,8R)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
110268-37-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
110268-37-6
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1760593
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1760593
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ent-Isolariciresinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
Ent-Isolariciresinol
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13557945
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL13557945
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Isolariciresinol(6S,7S,8R)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol110268-37-6CHEMBL1760593Ent-IsolariciresinolSCHEMBL13557945
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025190
Npass
NPC277458
Tcmid
38109
Pub Chem
1023563
Tcmbank
TCMBANKIN019872
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H24O6/c1-25-18-6-11(3-4-16(18)23)20-14-8-17(24)19(26-2)7-12(14)5-13(9-21)15(20)10-22/h3-4,6-8,13,15,20-24H,5,9-10H2,1-2H3/t13-,15-,20-/m1/s1
Mol Wt
360.4060000000001
Smiles
COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
Mol Log P
2.019999999999999
In Ch Ikey
OGFXBIXJCWAUCH-WAWZGNHOSA-N
Num Hdonors
4
Drug Likeness
0.651
Num Hacceptors
6
Isomeric Smiles
COC1=C(C=C2[C@H]([C@@H]([C@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
Canonical Smiles
COC1=C(C=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)O
Herb Alias Names
(-)-IsolariciresinolEnt-Isolariciresinol110268-37-6CHEMBL1760593SCHEMBL13557945(6S,7S,8R)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-3-methoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Molecular Weight
360.4 g/mol
Molecular Formula
C20H24O6
Molecular Formula
C20H24O6
Num Rotatable Bonds
5