ITCMDBv1
IngredientID 24352

Lentinan

C42H72O36

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 1Ingredient: 1Meta-analysis: 2Target: 1Links: 4
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
24352
Core Entity Id
30256
Source Entity Count
1
Preferred Name
Lentinan
Name En
Pubchem Id
21868678
Smiles Canonical
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O
Molecular Formula
C42H72O36
Molecular Weight
1153.0020
Inchikey
MAXBMUKIXLNXGX-DMWITZOWSA-N
Inchi
InChI=1S/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)32(28(61)36(65)68-13)75-40-29(62)33(18(51)11(4-46)72-40)77-41-30(63)34(19(52)12(5-47)73-41)78-42-31(64)35(76-39-27(60)24(57)17(50)10(3-45)71-39)21(54)14(74-42)7-67-38-26(59)23(56)16(49)9(2-44)70-38/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+/m1/s1
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O)O)O
Cas Id
Ob Score
Mol Logp
-16.2762
Num H Donors
23
Num H Acceptors
36
Num Rotatable Bonds
19
Drug Likeness
0.0570
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Lentinan
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lentinan
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
lentinan
Role
preferred
Source
TCMBank
Preferred
Yes
Name
37339-90-5
Role
alias
Source
HERB_v2
Preferred
No
Name
37339-90-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biomoduline
Role
alias
Source
itcmdb_public
Preferred
No
Name
Biomoduline
Role
alias
Source
HERB_v2
Preferred
No
Name
Bromoduline
Role
alias
Source
HERB_v2
Preferred
No
Name
Bromoduline
Role
alias
Source
itcmdb_public
Preferred
No
Name
DRG-0171
Role
alias
Source
HERB_v2
Preferred
No
Name
DRG-0171
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30190781
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30190781
Role
alias
Source
HERB_v2
Preferred
No
Name
LC-33
Role
alias
Source
itcmdb_public
Preferred
No
Name
LC-33
Role
alias
Source
HERB_v2
Preferred
No
Name
LTN
Role
alias
Source
TCMBank
Preferred
No
Name
MAXBMUKIXLNXGX-DMWITZOWSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
MAXBMUKIXLNXGX-DMWITZOWSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1517264
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1517264
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-6751655D1D
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-6751655D1D
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

37339-90-5BiomodulineBromodulineDRG-0171DTXSID30190781LC-33LTNMAXBMUKIXLNXGX-DMWITZOWSA-NSCHEMBL1517264UNII-6751655D1D

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN032877
Tcmid
24110
Tcm Id
153971539815399154841585915860168181841320276231562315723158231593038
Pub Chem
2186867837723
Tcmbank
TCMBANKIN035894

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C42H72O36/c43-1-8-15(48)22(55)25(58)37(69-8)66-6-13-20(53)32(28(61)36(65)68-13)75-40-29(62)33(18(51)11(4-46)72-40)77-41-30(63)34(19(52)12(5-47)73-41)78-42-31(64)35(76-39-27(60)24(57)17(50)10(3-45)71-39)21(54)14(74-42)7-67-38-26(59)23(56)16(49)9(2-44)70-38/h8-65H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22+,23+,24+,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+,35+,36-,37-,38-,39+,40+,41+,42+/m1/s1
Mol Wt
1153.002000000001
Smiles
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O
Mol Log P
-16.27620000000003
In Ch Ikey
MAXBMUKIXLNXGX-DMWITZOWSA-N
Num Hdonors
23
Drug Likeness
0.057
Num Hacceptors
36
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)O)O)O)O)O)O
Canonical Smiles
C(C1C(C(C(C(O1)OCC2C(C(C(C(O2)O)O)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)OC5C(C(C(C(O5)COC6C(C(C(C(O6)CO)O)O)O)O)OC7C(C(C(C(O7)CO)O)O)O)O)O)O)O)O)O)O)O
Herb Alias Names
37339-90-5BromodulineBiomodulineLC-33UNII-6751655D1DDRG-0171SCHEMBL1517264DTXSID30190781MAXBMUKIXLNXGX-DMWITZOWSA-N
Molecular Weight
1153 g/mol
Molecular Formula
C42H72O36
Molecular Formula
C42H72O36
Num Rotatable Bonds
19