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
- 10100
- Core Entity Id
- 14392
- Source Entity Count
- 1
- Preferred Name
- Alkylresorcinol c
- Name En
- Pubchem Id
- 14235913
- Smiles Canonical
- CCCCCC=CCC=CCCCCCCCC1=CC(=CC(=C1)O)O
- Molecular Formula
- C23H36O2
- Molecular Weight
- 344.5390
- Inchikey
- LQLSZSURMCEKFF-HZJYTTRNSA-N
- Inchi
- InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3/b7-6-,10-9-
- Isomeric Smiles
- CCCCC/C=C\C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
- Cas Id
- Ob Score
- Mol Logp
- 7.0637
- Num H Donors
- 2
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 14
- Drug Likeness
- 0.2800
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Alkylresorcinol C
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Alkylresorcinol c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Alkylresorcinol c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
有色紫金牛
Role
TCM_name
Source
TCMBank
Preferred
No
Name
YOU SE ZI JIN NIU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Colorate Ardisia*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[(8Z,11Z)-heptadeca-8,11-dienyl]benzene-1,3-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[(8Z,11Z)-heptadeca-8,11-dienyl]benzene-1,3-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:193309
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:193309
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL253004
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL253004
Role
alias
Source
HERB_v2
Preferred
No
Name
LMPK15030027
Role
alias
Source
itcmdb_public
Preferred
No
Name
LMPK15030027
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
有色紫金牛YOU SE ZI JIN NIUColorate Ardisia*5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)benzene-1,3-diol5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol5-[(8Z,11Z)-heptadeca-8,11-dienyl]benzene-1,3-diolCHEBI:193309CHEMBL253004LMPK15030027
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN015186
Npass
NPC71002
Tcmid
912
Pub Chem
14235913
Tcmbank
TCMBANKIN044852
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-18-22(24)20-23(25)19-21/h6-7,9-10,18-20,24-25H,2-5,8,11-17H2,1H3/b7-6-,10-9-
Mol Wt
344.5389999999999
Mol Log P
7.063700000000008
In Ch Ikey
LQLSZSURMCEKFF-HZJYTTRNSA-N
Tcm Name
有色紫金牛
Tcm Name2
YOU SE ZI JIN NIU
Mol2 Path
/TCM_database/2007_3d_all/00912.mol2
Reference
4244
Num Hdonors
2
Tcm Name En
Colorate Ardisia*
Drug Likeness
0.28
Num Hacceptors
2
Isomeric Smiles
CCCCC/C=C\C/C=C\CCCCCCCC1=CC(=CC(=C1)O)O
Canonical Smiles
CCCCCC=CCC=CCCCCCCCC1=CC(=CC(=C1)O)O
Herb Alias Names
5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)benzene-1,3-diolCHEMBL253004CHEBI:193309LMPK150300275-[(8Z,11Z)-heptadeca-8,11-dienyl]benzene-1,3-diol
Molecular Formula
C23H36O2
Num Rotatable Bonds
14