ITCMDBv1
IngredientID 10222

Alpha,alpha'-dihydro-3,5,3'-trihydroxy-4'-methoxy-5'-isopentenylstilbene

C20H24O4

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Relationship Network

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Herb: 1Ingredient: 1Links: 1
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
10222
Core Entity Id
14523
Source Entity Count
1
Preferred Name
Alpha,alpha'-dihydro-3,5,3'-trihydroxy-4'-methoxy-5'-isopentenylstilbene
Name En
Pubchem Id
11023938
Smiles Canonical
CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)OC)C
Molecular Formula
C20H24O4
Molecular Weight
328.4080
Inchikey
CUVVBEWXVFROAW-UHFFFAOYSA-N
Inchi
InChI=1S/C20H24O4/c1-13(2)4-7-16-8-14(11-19(23)20(16)24-3)5-6-15-9-17(21)12-18(22)10-15/h4,8-12,21-23H,5-7H2,1-3H3
Isomeric Smiles
CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)OC)C
Cas Id
Ob Score
Mol Logp
4.1059
Num H Donors
3
Num H Acceptors
4
Num Rotatable Bonds
6
Drug Likeness
0.6980
Polar Surface Area
Molecular Volume
Alogp

Names

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

Name
Alpha,alpha'-dihydro-3,5,3'-trihydroxy-4'-methoxy-5'-isopentenylstilbene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alpha,alpha'-dihydro-3,5,3'-trihydroxy-4'-methoxy-5'-isopentenylstilbene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,3',5'-trihydroxy-4-methoxy-5-prenylbibenzyl
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3',5'-trihydroxy-4-methoxy-5-prenylbibenzyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL465043
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL465043
Role
alias
Source
itcmdb_public
Preferred
No

Aliases

Additional names normalized into the restored final schema.

3,3',5'-trihydroxy-4-methoxy-5-prenylbibenzylCHEMBL465043

Cross References

Trusted external identifiers retained for this final record.

Herb
HBIN015348
Npass
NPC252131
Tcmid
5730
Pub Chem
11023938

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C20H24O4/c1-13(2)4-7-16-8-14(11-19(23)20(16)24-3)5-6-15-9-17(21)12-18(22)10-15/h4,8-12,21-23H,5-7H2,1-3H3
Mol Wt
328.408
Mol Log P
4.105900000000005
In Ch Ikey
CUVVBEWXVFROAW-UHFFFAOYSA-N
Num Hdonors
3
Drug Likeness
0.698
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)OC)C
Canonical Smiles
CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)OC)C
Herb Alias Names
CHEMBL4650433,3',5'-trihydroxy-4-methoxy-5-prenylbibenzyl
Molecular Formula
C20H24O4
Num Rotatable Bonds
6