Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 10Ingredient: 1Links: 10
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 36882
- Core Entity Id
- 44193
- Source Entity Count
- 1
- Preferred Name
- Xenognosin
- Name En
- Pubchem Id
- 5281296
- Smiles Canonical
- COC1=C(C=CC(=C1)O)CC=CC2=CC=C(C=C2)O
- Molecular Formula
- C16H16O3
- Molecular Weight
- 256.3010
- Inchikey
- LOHIEGDVOARVPJ-NSCUHMNNSA-N
- Inchi
- InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+
- Isomeric Smiles
- COC1=C(C=CC(=C1)O)C/C=C/C2=CC=C(C=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 3.3623
- Num H Donors
- 2
- Num H Acceptors
- 3
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8810
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Xenognosin
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Xenognosin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Xenognosin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
02F52L203E
Role
alias
Source
HERB_v2
Preferred
No
Name
02F52L203E
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[3-(4-Hydroxyphenyl)-2-propenyl]-3-methoxyphenol, 9CI
Role
alias
Source
itcmdb_public
Preferred
No
Name
4-[3-(4-Hydroxyphenyl)-2-propenyl]-3-methoxyphenol, 9CI
Role
alias
Source
HERB_v2
Preferred
No
Name
76907-79-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
76907-79-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:10075
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:10075
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-((2E)-3-(4-hydroxyphenyl)-2-propen-1-yl)-3-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
Phenol, 4-((2E)-3-(4-hydroxyphenyl)-2-propen-1-yl)-3-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-((2E)-3-(4-hydroxyphenyl)-2-propenyl)-3-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
Phenol, 4-((2E)-3-(4-hydroxyphenyl)-2-propenyl)-3-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-02F52L203E
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-02F52L203E
Role
alias
Source
HERB_v2
Preferred
No
Name
Xenognosin A
Role
alias
Source
HERB_v2
Preferred
No
Name
Xenognosin A
Role
alias
Source
itcmdb_public
Preferred
No
Name
xenognosin
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
02F52L203E4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol4-[3-(4-Hydroxyphenyl)-2-propenyl]-3-methoxyphenol, 9CI76907-79-4CHEBI:10075Phenol, 4-((2E)-3-(4-hydroxyphenyl)-2-propen-1-yl)-3-methoxy-Phenol, 4-((2E)-3-(4-hydroxyphenyl)-2-propenyl)-3-methoxy-UNII-02F52L203EXenognosin A
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN048477HBIN048478
Npass
NPC185541
Tcmid
2276633190
Sym Map
SMIT27478
Pub Chem
5281296
Tcmbank
TCMBANKIN061639
Itcmdb Generated
ITX-INGREDIENT-EB07F4BDB23D
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+
Mol Wt
256.301
Smiles
COC1=C(C=CC(=C1)O)CC=CC2=CC=C(C=C2)O
Mol Log P
3.362300000000003
Version
v2
In Ch Ikey
LOHIEGDVOARVPJ-NSCUHMNNSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.881
Num Hacceptors
3
Isomeric Smiles
COC1=C(C=CC(=C1)O)C/C=C/C2=CC=C(C=C2)O
Canonical Smiles
COC1=C(C=CC(=C1)O)CC=CC2=CC=C(C=C2)O
Herb Alias Names
Xenognosin A76907-79-4UNII-02F52L203EPhenol, 4-((2E)-3-(4-hydroxyphenyl)-2-propen-1-yl)-3-methoxy-02F52L203EPhenol, 4-((2E)-3-(4-hydroxyphenyl)-2-propenyl)-3-methoxy-CHEBI:100754-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol4-[3-(4-Hydroxyphenyl)-2-propenyl]-3-methoxyphenol, 9CI
Molecular Weight
256.3 g/mol
Molecular Formula
C16H16O3
Molecular Formula
C16H16O3
Num Rotatable Bonds
4