Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 10933
- Core Entity Id
- 15316
- Source Entity Count
- 1
- Preferred Name
- Anolignan b
- Name En
- Pubchem Id
- 72388
- Smiles Canonical
- C=C(CC1=CC=C(C=C1)O)C(=C)CC2=CC=C(C=C2)O
- Molecular Formula
- C18H18O2
- Molecular Weight
- 266.3400
- Inchikey
- VVKZAZVVUAFFGF-UHFFFAOYSA-N
- Inchi
- InChI=1S/C18H18O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-10,19-20H,1-2,11-12H2
- Isomeric Smiles
- C=C(CC1=CC=C(C=C1)O)C(=C)CC2=CC=C(C=C2)O
- Cas Id
- Ob Score
- Mol Logp
- 3.9954
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.8030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Anolignan B
Role
Molecule_name
Source
SymMap_v2
Preferred
Yes
Name
Anolignan B
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
Anolignan B
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Anolignan b
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Anolignan b
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
158081-98-2
Role
alias
Source
HERB_v2
Preferred
No
Name
158081-98-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Bis-(4-hydroxybenzyl)-1,3-butadiene
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,3-Bis-(4-hydroxybenzyl)-1,3-butadiene
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
4-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65411
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65411
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20166374
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID20166374
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 665938
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 665938
Role
alias
Source
itcmdb_public
Preferred
No
Name
T002L6QU06
Role
alias
Source
HERB_v2
Preferred
No
Name
T002L6QU06
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-T002L6QU06
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-T002L6QU06
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
158081-98-22,3-Bis-(4-hydroxybenzyl)-1,3-butadiene4-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]phenolCHEBI:65411DTXSID20166374NSC 665938T002L6QU06UNII-T002L6QU06
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016251
Npass
NPC151715
Tcmid
33565
Sym Map
SMIT22358
Pub Chem
72388
Tcmbank
TCMBANKIN012486
Itcmdb Generated
ITX-INGREDIENT-085D1960EB91
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C18H18O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-10,19-20H,1-2,11-12H2
Mol Wt
266.3399999999999
Smiles
C=C(CC1=CC=C(C=C1)O)C(=C)CC2=CC=C(C=C2)O
Mol Log P
3.995400000000002
Version
v2
In Ch Ikey
VVKZAZVVUAFFGF-UHFFFAOYSA-N
Suppress
0
Num Hdonors
2
Drug Likeness
0.803
Num Hacceptors
2
Isomeric Smiles
C=C(CC1=CC=C(C=C1)O)C(=C)CC2=CC=C(C=C2)O
Canonical Smiles
C=C(CC1=CC=C(C=C1)O)C(=C)CC2=CC=C(C=C2)O
Herb Alias Names
158081-98-22,3-Bis-(4-hydroxybenzyl)-1,3-butadieneCHEBI:65411T002L6QU064-[3-[(4-hydroxyphenyl)methyl]-2-methylidenebut-3-enyl]phenolNSC 665938NSC-665938UNII-T002L6QU06DTXSID20166374
Molecular Weight
266.3 g/mol
Molecular Formula
C18H18O2
Molecular Formula
C18H18O2
Num Rotatable Bonds
5