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
- 21600
- Core Entity Id
- 27195
- Source Entity Count
- 1
- Preferred Name
- Homomangiferin
- Name En
- Pubchem Id
- 5491388
- Smiles Canonical
- COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)C4C(C(C(C(O4)CO)O)O)O
- Molecular Formula
- C20H20O11
- Molecular Weight
- 436.3690
- Inchikey
- HDPSXKXQSOVYLL-PQSJUMPYSA-N
- Inchi
- InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12-,16-,18+,19-,20+/m1/s1
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -0.4135
- Num H Donors
- 7
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.2090
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Homomangiferin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Homomangiferin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Homomangiferin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
homomangiferin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
1,6,7-Trihydroxy-3-methoxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one
Role
alias
Source
HERB_v2
Preferred
No
Name
1,6,7-Trihydroxy-3-methoxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,6,7-trihydroxy-3-methoxy-2-[(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
1,6,7-trihydroxy-3-methoxy-2-[(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
21794-66-1
Role
alias
Source
HERB_v2
Preferred
No
Name
21794-66-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-O-Methylmangiferin
Role
alias
Source
HERB_v2
Preferred
No
Name
3-O-Methylmangiferin
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,6,7-trihydroxy-3-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,6,7-trihydroxy-3-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3233510
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL3233510
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID4098697
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXCID4098697
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70176206
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID70176206
Role
alias
Source
itcmdb_public
Preferred
No
Name
Mangiferin, 3-O-methyl-
Role
alias
Source
HERB_v2
Preferred
No
Name
Mangiferin, 3-O-methyl-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
1,6,7-Trihydroxy-3-methoxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-one1,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one21794-66-13-O-Methylmangiferin9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,6,7-trihydroxy-3-methoxy-CHEMBL3233510DTXCID4098697DTXSID70176206Mangiferin, 3-O-methyl-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN029500
Npass
NPC220912
Tcmid
9612
Pub Chem
5491388
Tcmbank
TCMBANKIN025770
Etcm Ingredient
Homomangiferin
Itcmdb Generated
ITX-INGREDIENT-4BA4CA86972B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20O11/c1-29-10-4-11-13(15(24)6-2-7(22)8(23)3-9(6)30-11)17(26)14(10)20-19(28)18(27)16(25)12(5-21)31-20/h2-4,12,16,18-23,25-28H,5H2,1H3/t12-,16-,18+,19-,20+/m1/s1
Mol Wt
436.3690000000001
Smiles
COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)C4C(C(C(C(O4)CO)O)O)O
Mol Log P
-0.4135000000000002
In Ch Ikey
HDPSXKXQSOVYLL-PQSJUMPYSA-N
Num Hdonors
7
Drug Likeness
0.209
Num Hacceptors
11
Isomeric Smiles
COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O
Canonical Smiles
COC1=C(C(=C2C(=C1)OC3=CC(=C(C=C3C2=O)O)O)O)C4C(C(C(C(O4)CO)O)O)O
Herb Alias Names
21794-66-1Mangiferin, 3-O-methyl-DTXSID701762061,6,7-trihydroxy-3-methoxy-2-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]xanthen-9-one3-O-Methylmangiferin9H-Xanthen-9-one, 2-beta-D-glucopyranosyl-1,6,7-trihydroxy-3-methoxy-1,6,7-Trihydroxy-3-methoxy-2-((2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)-9H-xanthen-9-oneCHEMBL3233510DTXCID4098697
Molecular Weight
452.100
Molecular Weight
436.4 g/mol
Molecular Formula
C20H20O12
Molecular Formula
C20H20O11
Molecular Formula
C20H20O11
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.017
Quantitative Estimate Of Drug Likeness（Qed）
0.193