ITCMDBv1
IngredientID 34460

Talaumidin

C20H22O5

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Herb: 5Ingredient: 1Links: 5
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
34460
Core Entity Id
41499
Source Entity Count
1
Preferred Name
Talaumidin
Name En
Pubchem Id
11537446
Smiles Canonical
CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
Molecular Formula
C20H22O5
Molecular Weight
342.3910
Inchikey
JPDORDSJPIKURD-BKMURAPUSA-N
Inchi
InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19-,20+/m0/s1
Isomeric Smiles
C[C@@H]1[C@@H]([C@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
Cas Id
Ob Score
Mol Logp
4.2143
Num H Donors
1
Num H Acceptors
5
Num Rotatable Bonds
3
Drug Likeness
0.9050
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Machilin F
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Machilin F
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Machilin f
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Machilin f
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Odoratisol D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Odoratisol d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Odoratisol d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Talaumidin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Talaumidin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Talaumidin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
弓形马兜铃
Role
TCM_name
Source
TCMBank
Preferred
No
Name
极香润楠
Role
TCM_name
Source
TCMBank
Preferred
No
Name
海风藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
GONG XING MA DOU LING
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
HAI FENG TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
JI XIANG RUN NAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Bow-shaped Dutchmanspipe*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Extreme-fragrant Machilus*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
Kadsura Pepper
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
4-((2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl)-2-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-((2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl)-2-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(2S,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[(2S,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
891182-96-0
Role
alias
Source
HERB_v2
Preferred
No
Name
891182-96-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040754138
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS040754138
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4174249
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4174249
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-((2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl)-2-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-((2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl)-2-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
T34778
Role
alias
Source
HERB_v2
Preferred
No
Name
T34778
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Machilin FOdoratisol D弓形马兜铃极香润楠海风藤GONG XING MA DOU LINGHAI FENG TENGJI XIANG RUN NANBow-shaped Dutchmanspipe*Extreme-fragrant Machilus*Kadsura Pepper4-((2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl)-2-methoxyphenol4-[(2S,3S,4S,5S)-5-(1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenol891182-96-0AKOS040754138CHEMBL4174249Phenol, 4-((2R,3R,4R,5S)-5-(1,3-benzodioxol-5-yl)tetrahydro-3,4-dimethyl-2-furanyl)-2-methoxy-T34778

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN034096HBIN037835HBIN045438
Npass
NPC186556NPC287671
Tcmid
132861598720635
Sym Map
SMIT16388
Pub Chem
115374461157370113844301
Tcmbank
TCMBANKIN022921TCMBANKIN028705TCMBANKIN045126TCMBANKIN060291
Itcmdb Generated
ITX-INGREDIENT-608D671EBBE0ITX-INGREDIENT-65927186DEADITX-INGREDIENT-A577EE7641D6ITX-INGREDIENT-D0B2D0024327

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12+,19-,20+/m0/s1InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19-,20+/m1/s1InChI=1S/C20H22O5/c1-11-12(2)20(14-5-7-16-18(9-14)24-10-23-16)25-19(11)13-4-6-15(21)17(8-13)22-3/h4-9,11-12,19-21H,10H2,1-3H3/t11-,12-,19-,20-/m0/s1
Mol Wt
342.391
Smiles
CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
Mol Log P
4.214300000000004
Version
v1,v2
In Ch Ikey
JPDORDSJPIKURD-BKMURAPUSA-NJPDORDSJPIKURD-HIGYNYDNSA-NJPDORDSJPIKURD-MWRFHTASSA-N
Suppress
0
Tcm Name
弓形马兜铃极香润楠海风藤
Tcm Name2
GONG XING MA DOU LINGHAI FENG TENGJI XIANG RUN NAN
Mol2 Path
/TCM_database/2007_3d_all/13293.mol2/TCM_database/2007_3d_all/15997.mol2/TCM_database/2007_3d_all/20651.mol2
Reference
1521, 253720704999
Num Hdonors
1
Tcm Name En
Bow-shaped Dutchmanspipe*Extreme-fragrant Machilus*Kadsura Pepper
Drug Likeness
0.905
Num Hacceptors
5
Isomeric Smiles
C[C@@H]1[C@@H]([C@H](O[C@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)CC[C@@H]1[C@H]([C@@H](O[C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)CC[C@H]1[C@@H]([C@H](O[C@@H]1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
Canonical Smiles
CC1C(C(OC1C2=CC3=C(C=C2)OCO3)C4=CC(=C(C=C4)O)OC)C
Molecular Weight
342.4 g/mol
Molecular Formula
C20H22O5
Molecular Formula
C20H22O5
Num Rotatable Bonds
3