ITCMDBv1
IngredientID 29649

Phenyl ethanol 4-o-beta-d-xylopyranosyl-(1→6)-beta-d-glucopyranoside

C20H17NO

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
29649
Core Entity Id
36140
Source Entity Count
1
Preferred Name
Phenyl ethanol 4-o-beta-d-xylopyranosyl-(1→6)-beta-d-glucopyranoside
Name En
Pubchem Id
283239
Smiles Canonical
C1=CC=C(C=C1)C(C(=NC2=CC=CC=C2)C3=CC=CC=C3)O
Molecular Formula
C20H17NO
Molecular Weight
287.3620
Inchikey
ZHTOXPUFUPXHPZ-UHFFFAOYSA-N
Inchi
InChI=1S/C20H17NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,20,22H
Isomeric Smiles
C1=CC=C(C=C1)C(C(=NC2=CC=CC=C2)C3=CC=CC=C3)O
Cas Id
Ob Score
Mol Logp
4.5410
Num H Donors
1
Num H Acceptors
2
Num Rotatable Bonds
4
Drug Likeness
0.7020
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Phenyl ethanol 4-o-beta-d-xylopyranosyl-(1→6)-beta-d-glucopyranoside
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Phenyl ethanol 4-o-beta-d-xylopyranosyl-(1→6)-beta-d-glucopyranoside
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
(2e)-1,2-diphenyl-2-(phenylimino)ethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(2e)-1,2-diphenyl-2-(phenylimino)ethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
(e)-1,2-diphenyl-2-(phenylimino)ethanol
Role
alias
Source
HERB_v2
Preferred
No
Name
(e)-1,2-diphenyl-2-(phenylimino)ethanol
Role
alias
Source
itcmdb_public
Preferred
No
Name
15833-49-5
Role
alias
Source
HERB_v2
Preferred
No
Name
15833-49-5
Role
alias
Source
itcmdb_public
Preferred
No
Name
Benzeneethanol, a-phenyl-b-(phenylimino)-(9ci)
Role
alias
Source
HERB_v2
Preferred
No
Name
Benzeneethanol, a-phenyl-b-(phenylimino)-(9ci)
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1994660
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL1994660
Role
alias
Source
itcmdb_public
Preferred
No
Name
DS-006887
Role
alias
Source
itcmdb_public
Preferred
No
Name
DS-006887
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00300577
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00300577
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-137611
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC137611
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

(2e)-1,2-diphenyl-2-(phenylimino)ethanol(e)-1,2-diphenyl-2-(phenylimino)ethanol15833-49-5Benzeneethanol, a-phenyl-b-(phenylimino)-(9ci)CHEMBL1994660DS-006887DTXSID00300577NSC-137611NSC137611

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN039510
Tcmid
17096
Pub Chem
283239

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C20H17NO/c22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21-18-14-8-3-9-15-18/h1-15,20,22H
Mol Wt
287.362
Mol Log P
4.541000000000005
In Ch Ikey
ZHTOXPUFUPXHPZ-UHFFFAOYSA-N
Num Hdonors
1
Drug Likeness
0.702
Num Hacceptors
2
Isomeric Smiles
C1=CC=C(C=C1)C(C(=NC2=CC=CC=C2)C3=CC=CC=C3)O
Canonical Smiles
C1=CC=C(C=C1)C(C(=NC2=CC=CC=C2)C3=CC=CC=C3)O
Herb Alias Names
15833-49-5(2e)-1,2-diphenyl-2-(phenylimino)ethanolNSC137611CHEMBL1994660DTXSID00300577NSC-137611(e)-1,2-diphenyl-2-(phenylimino)ethanolDS-006887Benzeneethanol, a-phenyl-b-(phenylimino)-(9ci)
Molecular Formula
C20H17NO
Num Rotatable Bonds
4