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
- 8489
- Core Entity Id
- 12604
- Source Entity Count
- 1
- Preferred Name
- (+)-7'-methoxylariciresinol
- Name En
- Pubchem Id
- 57404237
- Smiles Canonical
- COC1=C(C=CC(=C1)C2C(C(CO2)C(C3=CC(=C(C=C3)O)OC)OC)CO)O
- Molecular Formula
- C21H26O7
- Molecular Weight
- 390.4320
- Inchikey
- KDVJSVPEOZSZGS-COKJGXLZSA-N
- Inchi
- InChI=1S/C21H26O7/c1-25-18-8-12(4-6-16(18)23)20(27-3)15-11-28-21(14(15)10-22)13-5-7-17(24)19(9-13)26-2/h4-9,14-15,20-24H,10-11H2,1-3H3/t14-,15-,20?,21+/m0/s1
- Isomeric Smiles
- COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@H](CO2)C(C3=CC(=C(C=C3)O)OC)OC)CO)O
- Cas Id
- Ob Score
- Mol Logp
- 2.7987
- Num H Donors
- 3
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6690
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
(+ )-7'-methoxylariciresinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(+)-7'-methoxylariciresinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(+)-7'-methoxylariciresinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
7 inverted exclamation marka-Methoxylariciresinol
Role
alias
Source
HERB_v2
Preferred
No
Name
7 inverted exclamation marka-Methoxylariciresinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL3754575
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3754575
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0890918
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0890918
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0890942
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0890942
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12037
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N12037
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12037A
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N12037A
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(+ )-7'-methoxylariciresinol7 inverted exclamation marka-MethoxylariciresinolCHEMBL3754575CS-0890918CS-0890942HY-N12037HY-N12037A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN013343
Tcmid
37119
Pub Chem
57404237
Tcmbank
TCMBANKIN034093
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H26O7/c1-25-18-8-12(4-6-16(18)23)20(27-3)15-11-28-21(14(15)10-22)13-5-7-17(24)19(9-13)26-2/h4-9,14-15,20-24H,10-11H2,1-3H3/t14-,15-,20?,21+/m0/s1
Mol Wt
390.4320000000001
Mol Log P
2.798700000000003
In Ch Ikey
KDVJSVPEOZSZGS-COKJGXLZSA-N
Num Hdonors
3
Drug Likeness
0.669
Num Hacceptors
7
Isomeric Smiles
COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@H](CO2)C(C3=CC(=C(C=C3)O)OC)OC)CO)O
Canonical Smiles
COC1=C(C=CC(=C1)C2C(C(CO2)C(C3=CC(=C(C=C3)O)OC)OC)CO)O
Herb Alias Names
7 inverted exclamation marka-MethoxylariciresinolCHEMBL3754575HY-N12037AHY-N12037CS-0890918CS-0890942
Molecular Formula
C21H26O7
Num Rotatable Bonds
7