ITCMDBv1
IngredientID 7864

6'-o-caffeoylerigeroside

C20H20O11

Back to Browse

Relationship Network

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

Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
7864
Core Entity Id
11915
Source Entity Count
1
Preferred Name
6'-o-caffeoylerigeroside
Name En
Pubchem Id
5315605
Smiles Canonical
C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=COC=CC3=O)O)O)O)O)O
Molecular Formula
C20H20O11
Molecular Weight
436.3690
Inchikey
CLFSHBHNICRSDA-ROGMSIAGSA-N
Inchi
InChI=1S/C20H20O11/c21-11-3-1-10(7-13(11)23)2-4-16(24)29-9-15-17(25)18(26)19(27)20(31-15)30-14-8-28-6-5-12(14)22/h1-8,15,17-21,23,25-27H,9H2/b4-2+/t15-,17-,18+,19-,20-/m1/s1
Isomeric Smiles
C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=COC=CC3=O)O)O)O)O)O
Cas Id
Ob Score
Mol Logp
-0.5060
Num H Donors
5
Num H Acceptors
11
Num Rotatable Bonds
6
Drug Likeness
0.2240
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
6'-O-Caffeoylerigeroside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
6'-o-caffeoylerigeroside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
6'-o-caffeoylerigeroside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
多舌飞蓬
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DUO SHE FEI PENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Multiradiate
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
224824-74-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
224824-74-2
Role
alias
Source
HERB_v2
Preferred
No
Name
6-O-Caffeoylerigeroside
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-O-Caffeoylerigeroside
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040759437
Role
alias
Source
HERB_v2
Preferred
No
Name
AKOS040759437
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0139023
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0139023
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-63260
Role
alias
Source
itcmdb_public
Preferred
No
Name
DA-63260
Role
alias
Source
HERB_v2
Preferred
No
Name
Erigeside I
Role
alias
Source
HERB_v2
Preferred
No
Name
Erigeside I
Role
alias
Source
itcmdb_public
Preferred
No
Name
FS-10549
Role
alias
Source
HERB_v2
Preferred
No
Name
FS-10549
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8042
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N8042
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-oxopyran-3-yl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Role
alias
Source
HERB_v2
Preferred
No
Name
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-oxopyran-3-yl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

多舌飞蓬DUO SHE FEI PENGMultiradiate224824-74-26-O-CaffeoylerigerosideAKOS040759437CS-0139023DA-63260Erigeside IFS-10549HY-N8042[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-oxopyran-3-yl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN012650
Npass
NPC270487
Tcmid
2900
Pub Chem
5315605
Tcmbank
TCMBANKIN028475
Itcmdb Generated
ITX-INGREDIENT-04E47393AEC3

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C20H20O11/c21-11-3-1-10(7-13(11)23)2-4-16(24)29-9-15-17(25)18(26)19(27)20(31-15)30-14-8-28-6-5-12(14)22/h1-8,15,17-21,23,25-27H,9H2/b4-2+/t15-,17-,18+,19-,20-/m1/s1
Mol Wt
436.3690000000001
Mol Log P
-0.5060000000000009
In Ch Ikey
CLFSHBHNICRSDA-ROGMSIAGSA-N
Tcm Name
多舌飞蓬
Tcm Name2
DUO SHE FEI PENG
Mol2 Path
/TCM_database/2007_3d_all/02900.mol2
Reference
415
Num Hdonors
5
Tcm Name En
Multiradiate
Drug Likeness
0.224
Num Hacceptors
11
Isomeric Smiles
C1=CC(=C(C=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=COC=CC3=O)O)O)O)O)O
Canonical Smiles
C1=CC(=C(C=C1C=CC(=O)OCC2C(C(C(C(O2)OC3=COC=CC3=O)O)O)O)O)O
Herb Alias Names
Erigeside I224824-74-2[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-oxopyran-3-yl)oxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoateErigesideI6-O-CaffeoylerigerosideHY-N8042AKOS040759437DA-63260FS-10549CS-0139023
Molecular Formula
C20H20O11
Num Rotatable Bonds
6