Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Target: 4Links: 11
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24136
- Core Entity Id
- 30013
- Source Entity Count
- 1
- Preferred Name
- Laminarin
- Name En
- Pubchem Id
- 439306
- Smiles Canonical
- C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
- Molecular Formula
- C18H32O16
- Molecular Weight
- 504.4380
- Inchikey
- DBTMGCOVALSLOR-VPNXCSTESA-N
- Inchi
- InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1
- Isomeric Smiles
- C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -7.5730
- Num H Donors
- 11
- Num H Acceptors
- 16
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.1540
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Laminarin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Laminarin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Laminarin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Laminarin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
laminarin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(3R,4S,5R,6R)-4-(((3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,4S,5R,6R)-4-(((3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(3R,4S,5R,6R)-4-[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(3R,4S,5R,6R)-4-[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
9008-22-4
Role
alias
Source
TCMBank
Preferred
No
Name
9008-22-4
Role
alias
Source
HERB_v2
Preferred
No
Name
9008-22-4
Role
alias
Source
SymMap_v2
Preferred
No
Name
9008-22-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
C00771
Role
alias
Source
SymMap_v2
Preferred
No
Name
C00771
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 232-712-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 232-712-4
Role
alias
Source
HERB_v2
Preferred
No
Name
Iodus 40
Role
alias
Source
itcmdb_public
Preferred
No
Name
Iodus 40
Role
alias
Source
HERB_v2
Preferred
No
Name
Laminaran
Role
alias
Source
SymMap_v2
Preferred
No
Name
Laminaran
Role
alias
Source
HERB_v2
Preferred
No
Name
Laminaran
Role
alias
Source
itcmdb_public
Preferred
No
Name
Laminaran
Role
alias
Source
TCMBank
Preferred
No
Name
Laminarin
Role
alias
Source
SymMap_v2
Preferred
No
Name
Laminarin
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL17408801
Role
alias
Source
TCMBank
Preferred
No
Name
SCHEMBL17408801
Role
alias
Source
SymMap_v2
Preferred
No
Name
ZINC8551225
Role
alias
Source
TCMBank
Preferred
No
Name
ZINC8551225
Role
alias
Source
SymMap_v2
Preferred
No
Name
a laminarin
Role
alias
Source
itcmdb_public
Preferred
No
Name
a laminarin
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-1,3-Glucan
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-1,3-Glucan
Role
alias
Source
itcmdb_public
Preferred
No
Name
beta-D-Glucan, (1->3)-
Role
alias
Source
HERB_v2
Preferred
No
Name
beta-D-Glucan, (1->3)-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(3R,4S,5R,6R)-4-(((3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triol(3R,4S,5R,6R)-4-[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol9008-22-4C00771EINECS 232-712-4Iodus 40LaminaranSCHEMBL17408801ZINC8551225a laminarinbeta-1,3-Glucanbeta-D-Glucan, (1->3)-
Cross References
Trusted external identifiers retained for this final record.
Cas
9008-22-4
Herb
HBIN032589
Npass
NPC22395
Tcmid
23109
Sym Map
SMIT01667
Tcm Id
168153081
Pub Chem
43930646173707
Tcmbank
TCMBANKIN031757
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1
Mol Wt
504.4380000000002
Smiles
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Mol Log P
-7.572999999999988
Version
v1,v2
In Ch Ikey
DBTMGCOVALSLOR-VPNXCSTESA-N
Suppress
0
Num Hdonors
11
Drug Likeness
0.154
Num Hacceptors
16
Isomeric Smiles
C([C@@H]1[C@H]([C@@H]([C@H](C(O1)O)O)OC2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)OC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O)O
Canonical Smiles
C(C1C(C(C(C(O1)O)O)OC2C(C(C(C(O2)CO)O)OC3C(C(C(C(O3)CO)O)O)O)O)O)O
Herb Alias Names
Laminaran9008-22-4beta-1,3-GlucanIodus 40beta-D-Glucan, (1->3)-EINECS 232-712-4(3R,4S,5R,6R)-4-[(3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-6-(hydroxymethyl)oxane-2,3,5-triol(3R,4S,5R,6R)-4-(((3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-(((3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,5-triola laminarin
Molecular Weight
504.4 g/mol
Molecular Formula
C18H32O16
Molecular Formula
C18H32O16
Num Rotatable Bonds
7