ITCMDBv1
IngredientID 18446

Eriocitrin

C27H32O15

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Herb: 2Ingredient: 1Target: 8Links: 10
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
18446
Core Entity Id
23682
Source Entity Count
1
Preferred Name
Eriocitrin
Name En
Pubchem Id
122173158
Smiles Canonical
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
Molecular Formula
C27H32O15
Molecular Weight
596.5380
Inchikey
OMQADRGFMLGFJF-MNPJBKLOSA-N
Inchi
InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/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)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
Cas Id
13463-28-0
Ob Score
4.5160
Mol Logp
-1.4596
Num H Donors
9
Num H Acceptors
15
Num Rotatable Bonds
6
Drug Likeness
0.1730
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Eriocitrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Eriocitrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eriocitrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Eriocitrin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
eriocitrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-3',4',5,7-Tetrahydroxyflavanone-7-[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside]
Role
alias
Source
TCMBank
Preferred
No
Name
(S)-7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-benzopyran-4-one
Role
alias
Source
TCMBank
Preferred
No
Name
13463-28-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
13463-28-0
Role
alias
Source
TCMBank
Preferred
No
Name
13463-28-0
Role
alias
Source
HERB_v2
Preferred
No
Name
32737-63-6
Role
alias
Source
TCMBank
Preferred
No
Name
45714_FLUKA
Role
alias
Source
TCMBank
Preferred
No
Name
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (S)-
Role
alias
Source
TCMBank
Preferred
No
Name
52389-55-6
Role
alias
Source
TCMBank
Preferred
No
Name
AS293HR5XQ
Role
alias
Source
HERB_v2
Preferred
No
Name
AS293HR5XQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
C09732
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28709
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:28709
Role
alias
Source
TCMBank
Preferred
No
Name
CHEBI:28709
Role
alias
Source
HERB_v2
Preferred
No
Name
EINECS 236-668-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
EINECS 236-668-7
Role
alias
Source
TCMBank
Preferred
No
Name
EINECS 236-668-7
Role
alias
Source
HERB_v2
Preferred
No
Name
Eriodictioside
Role
alias
Source
TCMBank
Preferred
No
Name
Eriodictioside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eriodictioside
Role
alias
Source
HERB_v2
Preferred
No
Name
Eriodictyol 7-O-beta-rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Eriodictyol 7-O-beta-rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Eriodictyol 7-O-rutinoside
Role
alias
Source
TCMBank
Preferred
No
Name
Eriodictyol 7-O-rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Eriodictyol-7-O-rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Flavanone, 3',4',5,7-tetrahydroxy-, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)
Role
alias
Source
TCMBank
Preferred
No
Name
Glucopyranoside, eriodictyol-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-
Role
alias
Source
TCMBank
Preferred
No
Name
NCGC00163549-01
Role
alias
Source
TCMBank
Preferred
No
Name
UNII-AS293HR5XQ
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-AS293HR5XQ
Role
alias
Source
itcmdb_public
Preferred
No
Name
eriocitrin
Role
alias
Source
TCMBank
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chroman-4-one(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxymethyl]tetrahydropyran-2-yl]oxy-chroman-4-one(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-2-tetrahydropyranyl]oxymethyl]-2-tetrahydropyranyl]oxy]-4-chromanone(S)-3',4',5,7-Tetrahydroxyflavanone-7-[6-O-(alpha-L-rhamnopyranosyl)-beta-D-glucopyranoside](S)-7-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-4H-benzopyran-4-one13463-28-032737-63-645714_FLUKA4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-2-(3,4-dihydroxyphenyl)-2,3-dihydro-5-hydroxy-, (S)-52389-55-6AS293HR5XQC09732CHEBI:28709EINECS 236-668-7EriodictiosideEriodictyol 7-O-beta-rutinosideEriodictyol 7-O-rutinosideEriodictyol-7-O-rutinosideFlavanone, 3',4',5,7-tetrahydroxy-, 7-(6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside)Glucopyranoside, eriodictyol-7 6-O-(6-deoxy-alpha-L-mannopyranosyl)-, beta-D-NCGC00163549-01UNII-AS293HR5XQ

Cross References

Trusted external identifiers retained for this final record.

Cas
13463-28-0
Herb
HBIN025587
Npass
NPC43587
Tcmid
33668
Tcmsp
MOL011620
Sym Map
SMIT12493
Pub Chem
1221731581384543151387246124211951356454242607972513402195348624783489
Tcmbank
TCMBANKIN026968
Etcm Ingredient
eriocitrin
Itcmdb Generated
ITX-INGREDIENT-FAA39BE46765

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1
Mol Wt
596.5380000000006
Cas Id
13463-28-0
Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
Mol Log P
-1.4596
Version
v1,v2
In Ch Ikey
OMQADRGFMLGFJF-MNPJBKLOSA-N
Ob Score
4.5164.5160214.516021491
Suppress
0
Num Hdonors
9
Drug Likeness
0.173
Num Hacceptors
15
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)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
Molecule Weight
596.59
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
Herb Alias Names
13463-28-0EriodictiosideEriodictyol 7-O-rutinosideEriodictyol-7-O-rutinosideCHEBI:28709UNII-AS293HR5XQAS293HR5XQEriodictyol 7-O-beta-rutinosideEINECS 236-668-7
Molecular Weight
596.170
Molecular Weight
596.53
Molecular Formula
C27H32O15
Molecular Formula
C27H32O15
Molecular Formula
C27H32O15
Num Rotatable Bonds
6
Fda Maximum Daily Dose (Fdamdd)
0.015
Quantitative Estimate Of Drug Likeness（Qed）
0.173