Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18834
- Core Entity Id
- 24113
- Source Entity Count
- 1
- Preferred Name
- Eugenyl-beta-rutinoside
- Name En
- Pubchem Id
- 15101911
- Smiles Canonical
- CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)CC=C)OC)O)O)O)O)O)O
- Molecular Formula
- C22H32O11
- Molecular Weight
- 472.4870
- Inchikey
- KNUPPNGCEAQRSV-XCPHWCDESA-N
- Inchi
- InChI=1S/C22H32O11/c1-4-5-11-6-7-12(13(8-11)29-3)32-22-20(28)18(26)16(24)14(33-22)9-30-21-19(27)17(25)15(23)10(2)31-21/h4,6-8,10,14-28H,1,5,9H2,2-3H3/t10-,14+,15-,16+,17+,18-,19+,20+,21+,22+/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=C(C=C(C=C3)CC=C)OC)O)O)O)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- -1.5458
- Num H Donors
- 6
- Num H Acceptors
- 11
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.2430
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Eugenyl-beta-rutinoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Eugenyl-beta-rutinoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
-D-Glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl 6-O-(6-deoxy--L-mannopyranosyl)-
Role
alias
Source
HERB_v2
Preferred
No
Name
-D-Glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl 6-O-(6-deoxy--L-mannopyranosyl)-
Role
alias
Source
itcmdb_public
Preferred
No
Name
138772-01-7
Role
alias
Source
HERB_v2
Preferred
No
Name
138772-01-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
AKOS032948226
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS032948226
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0024395
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0024395
Role
alias
Source
itcmdb_public
Preferred
No
Name
D85083
Role
alias
Source
HERB_v2
Preferred
No
Name
D85083
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-73248
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-73248
Role
alias
Source
HERB_v2
Preferred
No
Name
Eugenol rutinoside
Role
alias
Source
HERB_v2
Preferred
No
Name
Eugenol rutinoside
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10322
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10322
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3880
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N3880
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol-D-Glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl 6-O-(6-deoxy--L-mannopyranosyl)-138772-01-7AKOS032948226CS-0024395D85083DA-73248Eugenol rutinosideFS-10322HY-N3880
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN026078
Npass
NPC173899
Tcmid
7525
Pub Chem
15101911
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H32O11/c1-4-5-11-6-7-12(13(8-11)29-3)32-22-20(28)18(26)16(24)14(33-22)9-30-21-19(27)17(25)15(23)10(2)31-21/h4,6-8,10,14-28H,1,5,9H2,2-3H3/t10-,14+,15-,16+,17+,18-,19+,20+,21+,22+/m0/s1
Mol Wt
472.4870000000002
Mol Log P
-1.545799999999999
In Ch Ikey
KNUPPNGCEAQRSV-XCPHWCDESA-N
Num Hdonors
6
Drug Likeness
0.243
Num Hacceptors
11
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=C(C=C(C=C3)CC=C)OC)O)O)O)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(C=C(C=C3)CC=C)OC)O)O)O)O)O)O
Herb Alias Names
Eugenol rutinoside138772-01-7(2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(2-methoxy-4-prop-2-enylphenoxy)oxan-2-yl]methoxy]oxane-3,4,5-triolHY-N3880AKOS032948226DA-73248FS-10322CS-0024395D85083-D-Glucopyranoside, 2-methoxy-4-(2-propenyl)phenyl 6-O-(6-deoxy--L-mannopyranosyl)-
Molecular Formula
C22H32O11
Num Rotatable Bonds
8