ITCMDBv1
IngredientID 24756

Lirioresinol b dimethyl ether

C24H30O8

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Herb: 9Ingredient: 1Target: 4Links: 13
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
24756
Core Entity Id
30710
Source Entity Count
1
Preferred Name
Lirioresinol b dimethyl ether
Name En
Pubchem Id
24838285
Smiles Canonical
COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC
Molecular Formula
C24H30O8
Molecular Weight
446.4960
Inchikey
HRLFUIXSXUASEX-RZTYQLBFSA-N
Inchi
InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1
Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC
Cas Id
Ob Score
Mol Logp
3.8134
Num H Donors
0
Num H Acceptors
8
Num Rotatable Bonds
8
Drug Likeness
0.6060
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Lirioresinol B Dimethyl Ether
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lirioresinol B dimethyl ether
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lirioresinol b dimethyl ether
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lirioresinol b dimethyl ether
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
lirioresinol b dimethyl ether
Role
preferred
Source
TCMBank
Preferred
Yes
Name
( )-O,O-Dimethyllirioresinol B
Role
alias
Source
TCMBank
Preferred
No
Name
( )-Yangabin
Role
alias
Source
TCMBank
Preferred
No
Name
(+)-Yangabin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(+)-Yangambin
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S-(1alpha,3aalpha,4alpha,6aalpha))-isomer of epiyangambin
Role
alias
Source
TCMBank
Preferred
No
Name
13060-14-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
13060-14-5
Role
alias
Source
HERB_v2
Preferred
No
Name
1H,3H-Furo(3,4-c)furan, 3aalpha,4,6,6aalpha-tetrahydro-1alpha,4alpha-bis(3,4,5-trimethoxyphenyl)-
Role
alias
Source
TCMBank
Preferred
No
Name
1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5)-trimethoxyphenyl)-, 1alpha,3aalpha,4alpha,6aalpha)-
Role
alias
Source
TCMBank
Preferred
No
Name
1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-
Role
alias
Source
TCMBank
Preferred
No
Name
C24H30O8
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 8944
Role
alias
Source
TCMBank
Preferred
No
Name
CCRIS 8944
Role
alias
Source
itcmdb_public
Preferred
No
Name
CCRIS 8944
Role
alias
Source
HERB_v2
Preferred
No
Name
LS-70759
Role
alias
Source
TCMBank
Preferred
No
Name
Lirioresinol B dimethyl ether
Role
alias
Source
TCMBank
Preferred
No
Name
Lirioresinol B, O,O-dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Lirioresinol B, dimethyl-
Role
alias
Source
TCMBank
Preferred
No
Name
Lirioresinol B, dimethyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Lirioresinol B, dimethyl-
Role
alias
Source
itcmdb_public
Preferred
No
Name
O,O-Dimethyllirioresinol B
Role
alias
Source
itcmdb_public
Preferred
No
Name
O,O-Dimethyllirioresinol B
Role
alias
Source
HERB_v2
Preferred
No
Name
Yangabin
Role
alias
Source
HERB_v2
Preferred
No
Name
Yangambin
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

( )-O,O-Dimethyllirioresinol B( )-Yangabin(+)-Yangabin(+)-Yangambin(1S-(1alpha,3aalpha,4alpha,6aalpha))-isomer of epiyangambin13060-14-51H,3H-Furo(3,4-c)furan, 3aalpha,4,6,6aalpha-tetrahydro-1alpha,4alpha-bis(3,4,5-trimethoxyphenyl)-1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5)-trimethoxyphenyl)-, 1alpha,3aalpha,4alpha,6aalpha)-1H,3H-Furo(3,4-c)furan, tetrahydro-1,4-bis(3,4,5-trimethoxyphenyl)-, (1S,3aR,4S,6aR)-C24H30O8CCRIS 8944LS-70759Lirioresinol B, O,O-dimethyl-Lirioresinol B, dimethyl-O,O-Dimethyllirioresinol BYangabinYangambin

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN033399
Npass
NPC14076
Tcmid
12914
Sym Map
SMIT16323
Tcm Id
2923
Pub Chem
2483828544302899091
Tcmbank
TCMBANKIN006355
Etcm Ingredient
Lirioresinol B dimethyl ether
Itcmdb Generated
ITX-INGREDIENT-B5F73530F43E

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C24H30O8/c1-25-17-7-13(8-18(26-2)23(17)29-5)21-15-11-32-22(16(15)12-31-21)14-9-19(27-3)24(30-6)20(10-14)28-4/h7-10,15-16,21-22H,11-12H2,1-6H3/t15-,16-,21+,22+/m0/s1
Mol Wt
446.4960000000003
Smiles
COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC
Mol Log P
3.813400000000002
Version
v1,v2
In Ch Ikey
HRLFUIXSXUASEX-RZTYQLBFSA-N
Suppress
0
Num Hdonors
0
Drug Likeness
0.606
Num Hacceptors
8
Isomeric Smiles
COC1=CC(=CC(=C1OC)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)OC)OC
Canonical Smiles
COC1=CC(=CC(=C1OC)OC)C2C3COC(C3CO2)C4=CC(=C(C(=C4)OC)OC)OC
Herb Alias Names
Yangambin13060-14-5YangabinLirioresinol B, dimethyl-O,O-Dimethyllirioresinol B( )-Yangabin(+)-Yangabin(+)-YangambinCCRIS 8944
Molecular Weight
446.190
Molecular Weight
446.5 g/mol
Molecular Formula
C24H30O8
Molecular Formula
C24H30O8
Molecular Formula
C24H30O8
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.321
Quantitative Estimate Of Drug Likeness（Qed）
0.606