ITCMDBv1
IngredientID 2403

Rhamnosylvitexin

C27H30O14

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 2Ingredient: 1Links: 2
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
2403
Core Entity Id
5858
Source Entity Count
1
Preferred Name
Rhamnosylvitexin
Name En
Pubchem Id
129724121
Smiles Canonical
CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
Molecular Formula
C27H30O14
Molecular Weight
578.5230
Inchikey
LYGPBZVKGHHTIE-HUBYJIGHSA-N
Inchi
InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1
Isomeric Smiles
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
Cas Id
Ob Score
6.9796
Mol Logp
-1.0565
Num H Donors
9
Num H Acceptors
14
Num Rotatable Bonds
5
Drug Likeness
0.1750
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Rhamnosylvitexin
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Vitexin-2-O-Rhamnoside
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
2''-O-Rhamnosyl vitexin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2-O-rhamnosyl-vitexin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2-o-rhamnosyl-vitexin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2-o-rhamnosyl-vitexin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rhamnosylvitexin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Rhamnosylvitexin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Rhamnosylvitexin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Vitexin-2-O-Rhamnoside
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Vitexin-2-O-rhamnoside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Vitexin-2-O-rhamnoside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Vitexin-2-o-rhamnoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Vitexin-2-o-rhamnoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
rhamnosylvitexin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2''-O-Rhamnosylvitexin
Role
alias
Source
itcmdb_public
Preferred
No
Name
2''-Rhamnosylvitexin
Role
alias
Source
itcmdb_public
Preferred
No
Name
2''-Rhamnosylvitexin
Role
alias
Source
HERB_v2
Preferred
No
Name
2-O-Rhamnosylvitexin
Role
alias
Source
HERB_v2
Preferred
No
Name
64820-99-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
64820-99-1
Role
alias
Source
HERB_v2
Preferred
No
Name
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
HERB_v2
Preferred
No
Name
8-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one
Role
alias
Source
itcmdb_public
Preferred
No
Name
Apigenin-8-C-glucoside-2'-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Apigenin-8-C-glucoside-2'-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
LYGPBZVKGHHTIE-NQQFNCMQSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
LYGPBZVKGHHTIE-NQQFNCMQSA-N
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1954687
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL1954687
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-UD7Y63I5X5
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-UD7Y63I5X5
Role
alias
Source
HERB_v2
Preferred
No
Name
Vitexin 2''-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vitexin 2''-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Vitexin-2''-O-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Vitexin-2-O-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

Vitexin-2-O-Rhamnoside2''-O-Rhamnosyl vitexin2-O-rhamnosyl-vitexin2''-O-Rhamnosylvitexin2''-Rhamnosylvitexin2-O-Rhamnosylvitexin64820-99-18-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneApigenin-8-C-glucoside-2'-rhamnosideLYGPBZVKGHHTIE-NQQFNCMQSA-NSCHEMBL1954687UNII-UD7Y63I5X5Vitexin 2''-rhamnosideVitexin-2''-O-rhamnoside

Cross References

Trusted external identifiers retained for this final record.

Cas
64820-99-1
Herb
HBIN006267HBIN042179HBIN048108
Npass
NPC280221NPC44947
Tcmid
3321538712
Tcmsp
MOL008888
Sym Map
SMIT10099SMIT26487
Pub Chem
12972412120055288528215153486256
Tcmbank
TCMBANKIN000602TCMBANKIN007434TCMBANKIN019522
Etcm Ingredient
2''-O-Rhamnosyl vitexinVitexin-2-O-rhamnoside
Itcmdb Generated
ITX-INGREDIENT-501E1550D740ITX-INGREDIENT-933DADCA92A2ITX-INGREDIENT-FB301A57BF6D

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16+,19-,20+,21+,22-,23+,25-,26+,27-/m0/s1InChI=1S/C27H30O14/c1-9-19(33)21(35)23(37)27(38-9)41-26-22(36)20(34)16(8-28)40-25(26)18-13(31)6-12(30)17-14(32)7-15(39-24(17)18)10-2-4-11(29)5-3-10/h2-7,9,16,19-23,25-31,33-37H,8H2,1H3/t9-,16-,19-,20-,21+,22+,23+,25+,26-,27+/m1/s1
Mol Wt
578.5230000000005
Smiles
CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
Mol Log P
-1.056500000000001
Version
v1,v2v2
In Ch Ikey
LYGPBZVKGHHTIE-HUBYJIGHSA-NLYGPBZVKGHHTIE-NQQFNCMQSA-N
Ob Score
6.9796076.979607496.98
Suppress
0
Num Hdonors
9
Drug Likeness
0.175
Num Hacceptors
14
Isomeric Smiles
C[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)OC[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H]([C@H](O[C@H]2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
Molecule Weight
578.57
Canonical Smiles
CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C=C(C4=C3OC(=CC4=O)C5=CC=C(C=C5)O)O)O)CO)O)O)O)O)O
Herb Alias Names
Vitexin-2-O-rhamnoside64820-99-1Vitexin 2''-O-rhamnoside2-O-RhamnosylvitexinVitexin 2''-rhamnosideVitexin-2''-rhamnoside2''-O-Rhamnosylvitexin2''-RhamnosylvitexinUNII-UD7Y63I5X5Vitexin-2''-O-rhamnoside
Molecular Weight
578.160
Molecular Weight
578.5 g/mol578.52
Molecular Formula
C27H30O14
Molecular Formula
C27H30O14
Molecular Formula
C27H30O14
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.0030.004
Quantitative Estimate Of Drug Likeness（Qed）
0.175