IngredientID 10221
Alpha,alpha'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
C19H22O4
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Herb: 1Ingredient: 1Links: 1
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Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10221
- Core Entity Id
- 14522
- Source Entity Count
- 1
- Preferred Name
- Alpha,alpha'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
- Name En
- Pubchem Id
- 10335780
- Smiles Canonical
- CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)O)C
- Molecular Formula
- C19H22O4
- Molecular Weight
- 314.3810
- Inchikey
- OLUUBKULUYLOQV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C19H22O4/c1-12(2)3-6-15-7-13(10-18(22)19(15)23)4-5-14-8-16(20)11-17(21)9-14/h3,7-11,20-23H,4-6H2,1-2H3
- Isomeric Smiles
- CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)O)C
- Cas Id
- Ob Score
- Mol Logp
- 3.8029
- Num H Donors
- 4
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.5000
- 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',4'-tetrahydroxy-5'-isopentenyl stilbene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Alpha,alpha'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alpha,alpha'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
3,3',4,5'-tetrahydroxy-5-prenylbibenzyl
Role
alias
Source
HERB_v2
Preferred
No
Name
3,3',4,5'-tetrahydroxy-5-prenylbibenzyl
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL465166
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL465166
Role
alias
Source
HERB_v2
Preferred
No
Name
α,α'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
Role
preferred
Source
TCMBank
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
-alpha,-alpha'-Dihydro-3,5,3',4'-tetrahydroxy-5'-isopentenyl stilbene3,3',4,5'-tetrahydroxy-5-prenylbibenzylCHEMBL465166α,α'-dihydro-3,5,3',4'-tetrahydroxy-5'-isopen-tenyl stilbene
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015347
Npass
NPC277588
Tcmid
5725
Pub Chem
10335780
Tcmbank
TCMBANKIN006966
Etcm Ingredient
-alpha,-alpha'-Dihydro-3,5,3',4'-tetrahydroxy-5'-isopentenyl stilbene
Itcmdb Generated
ITX-INGREDIENT-919C692E92F7
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H22O4/c1-12(2)3-6-15-7-13(10-18(22)19(15)23)4-5-14-8-16(20)11-17(21)9-14/h3,7-11,20-23H,4-6H2,1-2H3
Mol Wt
314.381
Smiles
CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)O)C
Mol Log P
3.802900000000004
In Ch Ikey
OLUUBKULUYLOQV-UHFFFAOYSA-N
Num Hdonors
4
Drug Likeness
0.5
Num Hacceptors
4
Isomeric Smiles
CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)O)C
Canonical Smiles
CC(=CCC1=C(C(=CC(=C1)CCC2=CC(=CC(=C2)O)O)O)O)C
Herb Alias Names
CHEMBL4651663,3',4,5'-tetrahydroxy-5-prenylbibenzyl
Molecular Weight
314.150
Molecular Formula
C19H22O4
Molecular Formula
C19H22O4
Molecular Formula
C19H22O4
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.917
Quantitative Estimate Of Drug Likeness（Qed）
0.500