Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 6Ingredient: 1Links: 6
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25467
- Core Entity Id
- 31501
- Source Entity Count
- 1
- Preferred Name
- Magnosalicin
- Name En
- Pubchem Id
- 118701423
- Smiles Canonical
- CC1C(C(OC1C2=CC(=C(C=C2OC)OC)OC)C)C3=CC(=C(C=C3OC)OC)OC
- Molecular Formula
- C24H32O7
- Molecular Weight
- 432.5130
- Inchikey
- XCWBENSTFQIQNV-NHCASCSRSA-N
- Inchi
- InChI=1S/C24H32O7/c1-13-23(15-9-19(27-5)21(29-7)11-17(15)25-3)14(2)31-24(13)16-10-20(28-6)22(30-8)12-18(16)26-4/h9-14,23-24H,1-8H3/t13-,14-,23-,24-/m0/s1
- Isomeric Smiles
- C[C@H]1[C@@H]([C@@H](O[C@@H]1C2=CC(=C(C=C2OC)OC)OC)C)C3=CC(=C(C=C3OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.6179
- Num H Donors
- 0
- Num H Acceptors
- 7
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.6030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Magnosalicin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Magnosalicin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Magnosalicin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Magnosalicin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Magnosalicin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Magnosalicin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
LIN YE MU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
(2S,3R,4S,5S)-2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolane
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4S,5S)-2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolane
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolane
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolane
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10657
Role
alias
Source
HERB_v2
Preferred
No
Name
C10657
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6644
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6644
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27107288
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27107288
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL4740193
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL4740193
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
LIN YE MU LAN(2S,3R,4S,5S)-2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolane2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolaneC10657CHEBI:6644Q27107288SCHEMBL4740193
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034253
Tcmid
13383
Sym Map
SMIT25284
Tcm Id
2830
Pub Chem
118701423442895
Tcmbank
TCMBANKIN043520
Etcm Ingredient
Magnosalicin
Itcmdb Generated
ITX-INGREDIENT-9DF2CE0FC54BITX-INGREDIENT-B3A0BCA18320
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H32O7/c1-13-23(15-9-19(27-5)21(29-7)11-17(15)25-3)14(2)31-24(13)16-10-20(28-6)22(30-8)12-18(16)26-4/h9-14,23-24H,1-8H3/t13-,14-,23-,24-/m0/s1
Mol Wt
432.5130000000002
Mol Log P
4.617900000000005
Version
v2
In Ch Ikey
XCWBENSTFQIQNV-NHCASCSRSA-N
Suppress
0
Tcm Name2
LIN YE MU LAN
Mol2 Path
/TCM_database/2007_3d_all/13390.mol2
Reference
658
Num Hdonors
0
Drug Likeness
0.603
Num Hacceptors
7
Isomeric Smiles
C[C@H]1[C@@H]([C@@H](O[C@@H]1C2=CC(=C(C=C2OC)OC)OC)C)C3=CC(=C(C=C3OC)OC)OC
Canonical Smiles
CC1C(C(OC1C2=CC(=C(C=C2OC)OC)OC)C)C3=CC(=C(C=C3OC)OC)OC
Herb Alias Names
(2S,3R,4S,5S)-2,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolaneC10657CHEBI:6644SCHEMBL47401932,4-dimethyl-3,5-bis(2,4,5-trimethoxyphenyl)oxolaneQ27107288
Molecular Weight
432.210
Molecular Weight
432.5 g/mol
Molecular Formula
C24H32O7
Molecular Formula
C24H32O7
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.210
Quantitative Estimate Of Drug Likeness（Qed）
0.603