ITCMDBv1
IngredientID 2334

2''-o-alpha-l-rhamnopyranosylisovitexin

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
2334
Core Entity Id
5782
Source Entity Count
1
Preferred Name
2''-o-alpha-l-rhamnopyranosylisovitexin
Name En
Pubchem Id
23844078
Smiles Canonical
CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Molecular Formula
C27H30O14
Molecular Weight
578.5230
Inchikey
BGPMMCPSTAYIEL-UTKQBPCESA-N
Inchi
InChI=1S/C27H30O14/c1-9-19(32)22(35)24(37)27(38-9)41-26-23(36)20(33)16(8-28)40-25(26)18-13(31)7-15-17(21(18)34)12(30)6-14(39-15)10-2-4-11(29)5-3-10/h2-7,9,16,19-20,22-29,31-37H,8H2,1H3/t9-,16+,19-,20+,22+,23-,24+,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(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Cas Id
Ob Score
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
2''-o-alpha-l-rhamnopyranosylisovitexin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
2''-o-alpha-l-rhamnopyranosylisovitexin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2''-O-alpha-L-Rhamnopyranosyl-isovitexin
Role
alias
Source
HERB_v2
Preferred
No
Name
2''-O-alpha-L-Rhamnopyranosyl-isovitexin
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-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
6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-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
72036-50-1
Role
alias
Source
HERB_v2
Preferred
No
Name
72036-50-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
ACon1_001544
Role
alias
Source
HERB_v2
Preferred
No
Name
ACon1_001544
Role
alias
Source
itcmdb_public
Preferred
No
Name
Compound NP-005157
Role
alias
Source
HERB_v2
Preferred
No
Name
Compound NP-005157
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isovitexin 2 inverted exclamation marka inverted exclamation marka-O-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Isovitexin 2 inverted exclamation marka inverted exclamation marka-O-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isovitexin-2''-O-rhamnoside (2''-O-alpha-L-Rhamnopyranosyl-isovitexin)
Role
alias
Source
itcmdb_public
Preferred
No
Name
Isovitexin-2''-O-rhamnoside (2''-O-alpha-L-Rhamnopyranosyl-isovitexin)
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001392
Role
alias
Source
HERB_v2
Preferred
No
Name
MEGxp0_001392
Role
alias
Source
itcmdb_public
Preferred
No
Name
isoleucine betaine
Role
alias
Source
HERB_v2
Preferred
No
Name
isoleucine betaine
Role
alias
Source
itcmdb_public
Preferred
No
Name
isovitexin 2''-O-rhamnoside
Role
alias
Source
HERB_v2
Preferred
No
Name
isovitexin 2''-O-rhamnoside
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

2''-O-alpha-L-Rhamnopyranosyl-isovitexin6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one72036-50-1ACon1_001544Compound NP-005157Isovitexin 2 inverted exclamation marka inverted exclamation marka-O-rhamnosideIsovitexin-2''-O-rhamnoside (2''-O-alpha-L-Rhamnopyranosyl-isovitexin)MEGxp0_001392isoleucine betaineisovitexin 2''-O-rhamnoside

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN006190
Npass
NPC85946
Tcmid
18714
Pub Chem
23844078

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C27H30O14/c1-9-19(32)22(35)24(37)27(38-9)41-26-23(36)20(33)16(8-28)40-25(26)18-13(31)7-15-17(21(18)34)12(30)6-14(39-15)10-2-4-11(29)5-3-10/h2-7,9,16,19-20,22-29,31-37H,8H2,1H3/t9-,16+,19-,20+,22+,23-,24+,25-,26+,27-/m0/s1
Mol Wt
578.5230000000005
Mol Log P
-1.056500000000001
In Ch Ikey
BGPMMCPSTAYIEL-UTKQBPCESA-N
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(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OC2C(C(C(OC2C3=C(C4=C(C=C3O)OC(=CC4=O)C5=CC=C(C=C5)O)O)CO)O)O)O)O)O
Herb Alias Names
72036-50-12''-O-alpha-L-Rhamnopyranosyl-isovitexinIsovitexin-2''-O-rhamnoside (2''-O-alpha-L-Rhamnopyranosyl-isovitexin)isovitexin 2''-O-rhamnosideIsovitexin 2 inverted exclamation marka inverted exclamation marka-O-rhamnoside6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-oneisoleucine betaineCompound NP-005157MEGxp0_001392ACon1_001544
Molecular Formula
C27H30O14
Num Rotatable Bonds
5