ITCMDBv1
IngredientID 11879

Aviculin

C26H34O10

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: 3Ingredient: 1Links: 3
Arranging relationship network...

Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
11879
Core Entity Id
16369
Source Entity Count
1
Preferred Name
Aviculin
Name En
Pubchem Id
10391477
Smiles Canonical
CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O
Molecular Formula
C26H34O10
Molecular Weight
506.5480
Inchikey
FPJFPMQEUVMUKU-CDDCGRQRSA-N
Inchi
InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@H]2[C@@H](CC3=CC(=C(C=C3[C@@H]2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O
Cas Id
Ob Score
Mol Logp
0.8718
Num H Donors
6
Num H Acceptors
10
Num Rotatable Bonds
7
Drug Likeness
0.3180
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Aviculin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Aviculin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Aviculin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Aviculin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
aviculin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
156765-33-2
Role
alias
Source
HERB_v2
Preferred
No
Name
156765-33-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2332673
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL2332673
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0564663
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0564663
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-50824
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-50824
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID901045608
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID901045608
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N10481
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N10481
Role
alias
Source
HERB_v2
Preferred
No
Name
Q15410250
Role
alias
Source
HERB_v2
Preferred
No
Name
Q15410250
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol156765-33-2CHEMBL2332673CS-0564663DA-50824DTXSID901045608HY-N10481Q15410250

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN017409HBIN030854
Npass
NPC286245
Tcmid
114792040
Sym Map
SMIT14430
Tcm Id
6463
Pub Chem
10391477
Tcmbank
TCMBANKIN045241TCMBANKIN060273
Etcm Ingredient
Aviculin
Itcmdb Generated
ITX-INGREDIENT-175C0FE39EFB

Attributes

Merged source attributes and domain-specific metadata.

Type
Other ingredients
In Ch I
InChI=1S/C26H34O10/c1-12-23(30)24(31)25(32)26(36-12)35-11-17-15(10-27)6-14-8-21(34-3)19(29)9-16(14)22(17)13-4-5-18(28)20(7-13)33-2/h4-5,7-9,12,15,17,22-32H,6,10-11H2,1-3H3/t12-,15-,17-,22-,23-,24+,25+,26+/m0/s1
Mol Wt
506.5480000000002
Smiles
CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O
Mol Log P
0.8717999999999997
Version
v1,v2
In Ch Ikey
FPJFPMQEUVMUKU-CDDCGRQRSA-N
Suppress
0
Mol2 Path
/TCM_database/2007_3d_all/02040.mol2
Reference
1521, 4329
Num Hdonors
6
Drug Likeness
0.318
Num Hacceptors
10
Isomeric Smiles
C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@H]2[C@@H](CC3=CC(=C(C=C3[C@@H]2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O
Canonical Smiles
CC1C(C(C(C(O1)OCC2C(CC3=CC(=C(C=C3C2C4=CC(=C(C=C4)O)OC)O)OC)CO)O)O)O
Herb Alias Names
156765-33-2(2R,3R,4R,5R,6S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-methyloxane-3,4,5-triol(2R,3R,4R,5R,6S)-2-(((1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)methoxy)-6-methyloxane-3,4,5-triolCHEMBL2332673DTXSID901045608HY-N10481DA-50824CS-0564663Q15410250
Molecular Weight
506.220
Molecular Weight
506.5 g/mol
Molecule Formula
C26H34O10
Molecular Formula
C26H34O10
Molecular Formula
C26H34O10
Molecular Formula
C26H34O10
Num Rotatable Bonds
7
Fda Maximum Daily Dose (Fdamdd)
0.848
Quantitative Estimate Of Drug Likeness（Qed）
0.318