ITCMDBv1
IngredientID 8918

(?)-8-methoxyisolariciresinol

C21H26O7

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
8918
Core Entity Id
13080
Source Entity Count
1
Preferred Name
(?)-8-methoxyisolariciresinol
Name En
Pubchem Id
10249800
Smiles Canonical
COC1=C(C(=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)OC)O
Molecular Formula
C21H26O7
Molecular Weight
390.4320
Inchikey
ZPRAJLPWRSLALC-SUNYJGFJSA-N
Inchi
InChI=1S/C21H26O7/c1-26-16-7-11(4-5-15(16)24)18-14(10-23)13(9-22)6-12-8-17(27-2)20(25)21(28-3)19(12)18/h4-5,7-8,13-14,18,22-25H,6,9-10H2,1-3H3/t13-,14-,18+/m0/s1
Isomeric Smiles
COC1=C(C(=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)OC)O
Cas Id
Ob Score
Mol Logp
2.0286
Num H Donors
4
Num H Acceptors
7
Num Rotatable Bonds
6
Drug Likeness
0.5980
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
(-)-8-Methoxyisolariciresinol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(?)-8-methoxyisolariciresinol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(?)-8-methoxyisolariciresinol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
(−)-8-Methoxyisolariciresinol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
索拉姆
Role
TCM_name
Source
TCMBank
Preferred
No
Name
SUO LA MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Prinos-like Salacia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
(+)-8-methoxyisolariciresinol
Role
alias
Source
HERB_v2
Preferred
No
Name
(+)-8-methoxyisolariciresinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2R,3R)-1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-2,3-naphthalenedimethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,2R,3R)-1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-2,3-naphthalenedimethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
136082-41-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
136082-41-2
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032962750
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032962750
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50242209
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50242209
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL508302
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL508302
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0138432
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0138432
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N7843
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N7843
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(-)-8-Methoxyisolariciresinol(−)-8-Methoxyisolariciresinol索拉姆SUO LA MUPrinos-like Salacia(+)-8-methoxyisolariciresinol(1S,2R,3R)-1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-2,3-naphthalenedimethanol(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-ol136082-41-2AKOS032962750BDBM50242209CHEMBL508302CS-0138432HY-N7843

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN013815
Npass
NPC184613
Tcmid
13968
Pub Chem
10249800
Tcmbank
TCMBANKIN023166
Etcm Ingredient
(-)-8-Methoxyisolariciresinol
Itcmdb Generated
ITX-INGREDIENT-368278D16EA0ITX-INGREDIENT-8B531430A09A

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C21H26O7/c1-26-16-7-11(4-5-15(16)24)18-14(10-23)13(9-22)6-12-8-17(27-2)20(25)21(28-3)19(12)18/h4-5,7-8,13-14,18,22-25H,6,9-10H2,1-3H3/t13-,14-,18+/m0/s1
Mol Wt
390.4320000000001
Mol Log P
2.0286
In Ch Ikey
ZPRAJLPWRSLALC-SUNYJGFJSA-N
Tcm Name
索拉姆
Tcm Name2
SUO LA MU
Mol2 Path
/TCM_database/2007_3d_all/13975.mol2
Reference
437
Num Hdonors
4
Tcm Name En
Prinos-like Salacia
Drug Likeness
0.598
Num Hacceptors
7
Isomeric Smiles
COC1=C(C(=C2[C@@H]([C@H]([C@@H](CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)OC)O
Canonical Smiles
COC1=C(C(=C2C(C(C(CC2=C1)CO)CO)C3=CC(=C(C=C3)O)OC)OC)O
Herb Alias Names
(+)-8-methoxyisolariciresinol136082-41-2CHEMBL508302(6R,7R,8S)-8-(4-hydroxy-3-methoxyphenyl)-6,7-bis(hydroxymethyl)-1,3-dimethoxy-5,6,7,8-tetrahydronaphthalen-2-olHY-N7843BDBM50242209AKOS032962750CS-0138432(1S,2R,3R)-1,2,3,4-Tetrahydro-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-6,8-dimethoxy-2,3-naphthalenedimethanol
Molecular Weight
390.170
Molecular Formula
C21H26O7
Molecular Formula
C21H26O7
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.382
Quantitative Estimate Of Drug Likeness（Qed）
0.598