ITCMDBv1
IngredientID 24150

Lancerin

C19H18O10

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Herb: 3Ingredient: 1Target: 1Links: 5
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
24150
Core Entity Id
30029
Source Entity Count
1
Preferred Name
Lancerin
Name En
Pubchem Id
5281645
Smiles Canonical
C1=CC2=C(C=C1O)C(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O
Molecular Formula
C19H18O10
Molecular Weight
406.3430
Inchikey
JUZGXATTXYZBGK-HBVDJMOISA-N
Inchi
InChI=1S/C19H18O10/c20-5-11-15(25)16(26)17(27)19(29-11)13-9(23)4-8(22)12-14(24)7-3-6(21)1-2-10(7)28-18(12)13/h1-4,11,15-17,19-23,25-27H,5H2/t11-,15-,16+,17-,19+/m1/s1
Isomeric Smiles
C1=CC2=C(C=C1O)C(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Cas Id
81991-99-3
Ob Score
Mol Logp
-0.4221
Num H Donors
7
Num H Acceptors
10
Num Rotatable Bonds
2
Drug Likeness
0.2760
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Lancerin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Lancerin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Lancerin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Lancerin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
lancerin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(1S)-1,5-anhydro-1-(1,3,7-trihydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(1S)-1,5-anhydro-1-(1,3,7-trihydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-C-Glucosyl-1,3,7-trihydroxyxanthone
Role
alias
Source
HERB_v2
Preferred
No
Name
4-C-Glucosyl-1,3,7-trihydroxyxanthone
Role
alias
Source
itcmdb_public
Preferred
No
Name
81991-99-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
81991-99-3
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NQYSY
Role
alias
Source
HERB_v2
Preferred
No
Name
AC1NQYSY
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10075
Role
alias
Source
itcmdb_public
Preferred
No
Name
C10075
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:6373
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:6373
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10415166
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID10415166
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(1S)-1,5-anhydro-1-(1,3,7-trihydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-one4-C-Glucosyl-1,3,7-trihydroxyxanthone81991-99-3AC1NQYSYC10075CHEBI:6373DTXSID10415166

Cross References

Trusted external identifiers retained for this final record.

Cas
81991-99-3
Herb
HBIN032608
Tcmid
12463
Sym Map
SMIT25010
Tcm Id
3072
Pub Chem
5281645
Tcmbank
TCMBANKIN035122
Etcm Ingredient
Lancerin
Itcmdb Generated
ITX-INGREDIENT-07118D46F409ITX-INGREDIENT-B8703795C434

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C19H18O10/c20-5-11-15(25)16(26)17(27)19(29-11)13-9(23)4-8(22)12-14(24)7-3-6(21)1-2-10(7)28-18(12)13/h1-4,11,15-17,19-23,25-27H,5H2/t11-,15-,16+,17-,19+/m1/s1
Mol Wt
406.3430000000001
Cas Id
81991-99-3
Smiles
C1=CC2=C(C=C1O)C(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O
Mol Log P
-0.4220999999999999
Version
v2
In Ch Ikey
JUZGXATTXYZBGK-HBVDJMOISA-N
Suppress
0
Num Hdonors
7
Drug Likeness
0.276
Num Hacceptors
10
Isomeric Smiles
C1=CC2=C(C=C1O)C(=O)C3=C(O2)C(=C(C=C3O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
C1=CC2=C(C=C1O)C(=O)C3=C(O2)C(=C(C=C3O)O)C4C(C(C(C(O4)CO)O)O)O
Herb Alias Names
81991-99-34-C-Glucosyl-1,3,7-trihydroxyxanthone1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-oneCHEBI:6373DTXSID10415166C10075(1S)-1,5-anhydro-1-(1,3,7-trihydroxy-9-oxo-9H-xanthen-4-yl)-D-glucitol1,3,7-trihydroxy-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]xanthen-9-oneAC1NQYSY
Molecular Weight
406.090
Molecular Weight
406.34
Molecular Formula
C19H18O10
Molecular Formula
C19H18O10
Molecular Formula
C19H18O10
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.019
Quantitative Estimate Of Drug Likeness（Qed）
0.276