Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 24142
- Core Entity Id
- 30020
- Source Entity Count
- 1
- Preferred Name
- Lamioside
- Name En
- Pubchem Id
- 443328
- Smiles Canonical
- CC1=COC(C2C1(C(CC2(C)OC(=O)C)O)O)OC3C(C(C(C(O3)CO)O)O)O
- Molecular Formula
- C18H28O11
- Molecular Weight
- 420.4110
- Inchikey
- KPUSIQDGYABESP-CJHMEAONSA-N
- Inchi
- InChI=1S/C18H28O11/c1-7-6-26-16(28-15-13(24)12(23)11(22)9(5-19)27-15)14-17(3,29-8(2)20)4-10(21)18(7,14)25/h6,9-16,19,21-25H,4-5H2,1-3H3/t9-,10-,11-,12+,13-,14-,15+,16+,17+,18-/m1/s1
- Isomeric Smiles
- CC1=CO[C@H]([C@H]2[C@@]1([C@@H](C[C@]2(C)OC(=O)C)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -2.5033
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2650
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Lamioside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lamioside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lamioside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Lamioside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
lamioside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S,4AR,5R,7S,7as)-4a,5-dihydroxy-4,7-dimethyl-1-(((2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-7-yl acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S,4AR,5R,7S,7as)-4a,5-dihydroxy-4,7-dimethyl-1-(((2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-7-yl acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
19228-19-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
19228-19-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6365
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6365
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPR0102070018
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPR0102070018
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27107166
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27107166
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9695651
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL9695651
Role
alias
Source
itcmdb_public
Preferred
No
Name
[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(1S,4AR,5R,7S,7as)-4a,5-dihydroxy-4,7-dimethyl-1-(((2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-7-yl acetic acid19228-19-4CHEBI:6365LMPR0102070018Q27107166SCHEMBL9695651[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032599
Tcmid
12459
Sym Map
SMIT25009
Pub Chem
443328
Tcmbank
TCMBANKIN014840
Etcm Ingredient
Lamioside
Itcmdb Generated
ITX-INGREDIENT-139567257F94ITX-INGREDIENT-A7279DA1392C
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H28O11/c1-7-6-26-16(28-15-13(24)12(23)11(22)9(5-19)27-15)14-17(3,29-8(2)20)4-10(21)18(7,14)25/h6,9-16,19,21-25H,4-5H2,1-3H3/t9-,10-,11-,12+,13-,14-,15+,16+,17+,18-/m1/s1
Mol Wt
420.4110000000001
Smiles
CC1=COC(C2C1(C(CC2(C)OC(=O)C)O)O)OC3C(C(C(C(O3)CO)O)O)O
Mol Log P
-2.503299999999997
Version
v2
In Ch Ikey
KPUSIQDGYABESP-CJHMEAONSA-N
Suppress
0
Num Hdonors
6
Drug Likeness
0.265
Num Hacceptors
11
Isomeric Smiles
CC1=CO[C@H]([C@H]2[C@@]1([C@@H](C[C@]2(C)OC(=O)C)O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
Canonical Smiles
CC1=COC(C2C1(C(CC2(C)OC(=O)C)O)O)OC3C(C(C(C(O3)CO)O)O)O
Herb Alias Names
19228-19-4[(1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-4,7-dimethyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,5,6,7a-tetrahydrocyclopenta[c]pyran-7-yl] acetate((1S,4aR,5R,7S,7aS)-4a,5-dihydroxy-4,7-dimethyl-1-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy-1,5,6,7a-tetrahydrocyclopenta(c)pyran-7-yl) acetate(1S,4AR,5R,7S,7as)-4a,5-dihydroxy-4,7-dimethyl-1-(((2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxy)-1H,4ah,5H,6H,7H,7ah-cyclopenta(c)pyran-7-yl acetic acid(1S,4AR,5R,7S,7as)-4a,5-dihydroxy-4,7-dimethyl-1-{[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,4ah,5H,6H,7H,7ah-cyclopenta[c]pyran-7-yl acetic acidCHEBI:6365SCHEMBL9695651LMPR0102070018Q27107166
Molecular Weight
420.160
Molecular Weight
420.4 g/mol
Molecular Formula
C18H28O11
Molecular Formula
C18H28O11
Molecular Formula
C18H28O11
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.025
Quantitative Estimate Of Drug Likeness（Qed）
0.265