Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 25468
- Core Entity Id
- 31502
- Source Entity Count
- 1
- Preferred Name
- Magnoshinin
- Name En
- Pubchem Id
- 118701424
- Smiles Canonical
- CC1C(C2=C(C=C1C)C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC
- Molecular Formula
- C24H30O6
- Molecular Weight
- 414.4980
- Inchikey
- MWJAXRZVJODRGN-FPTDNZKUSA-N
- Inchi
- InChI=1S/C24H30O6/c1-13-9-15-18(26-4)12-21(29-7)24(30-8)23(15)22(14(13)2)16-10-19(27-5)20(28-6)11-17(16)25-3/h9-12,14,22H,1-8H3/t14-,22-/m0/s1
- Isomeric Smiles
- C[C@@H]1[C@H](C2=C(C=C1C)C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.9231
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.6410
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Magnoshinin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Magnoshinin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Magnoshinin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Magnoshinin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
magnoshinin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,2R)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
(1S,2R)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
Role
alias
Source
itcmdb_public
Preferred
No
Name
5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
Role
alias
Source
HERB_v2
Preferred
No
Name
86702-02-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
86702-02-5
Role
alias
Source
HERB_v2
Preferred
No
Name
C10658
Role
alias
Source
HERB_v2
Preferred
No
Name
C10658
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6645
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6645
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID901007036
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID901007036
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27107289
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27107289
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,2R)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene86702-02-5C10658CHEBI:6645DTXSID901007036Q27107289
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN034255
Tcmid
13385
Sym Map
SMIT25286
Tcm Id
2828
Pub Chem
118701424442896
Tcmbank
TCMBANKIN030376
Etcm Ingredient
Magnoshinin
Itcmdb Generated
ITX-INGREDIENT-80AEA0AE1A21ITX-INGREDIENT-85050A1A9EF1
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C24H30O6/c1-13-9-15-18(26-4)12-21(29-7)24(30-8)23(15)22(14(13)2)16-10-19(27-5)20(28-6)11-17(16)25-3/h9-12,14,22H,1-8H3/t14-,22-/m0/s1
Mol Wt
414.4980000000002
Smiles
CC1C(C2=C(C=C1C)C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC
Mol Log P
4.923100000000004
Version
v2
In Ch Ikey
MWJAXRZVJODRGN-FPTDNZKUSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.641
Num Hacceptors
6
Isomeric Smiles
C[C@@H]1[C@H](C2=C(C=C1C)C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC
Canonical Smiles
CC1C(C2=C(C=C1C)C(=CC(=C2OC)OC)OC)C3=CC(=C(C=C3OC)OC)OC
Herb Alias Names
86702-02-5(1S,2R)-5,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthaleneC10658CHEBI:6645DTXSID901007036Q271072895,7,8-trimethoxy-2,3-dimethyl-1-(2,4,5-trimethoxyphenyl)-1,2-dihydronaphthalene
Molecular Weight
414.200
Molecular Weight
414.5 g/mol
Molecular Formula
C24H30O6
Molecular Formula
C24H30O6
Molecular Formula
C24H30O6
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.766
Quantitative Estimate Of Drug Likeness（Qed）
0.641