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
- 11303
- Core Entity Id
- 15730
- Source Entity Count
- 1
- Preferred Name
- Ardisiphenol c
- Name En
- Pubchem Id
- 11741856
- Smiles Canonical
- CCCCCC=CCC=CCCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
- Molecular Formula
- C25H38O4
- Molecular Weight
- 402.5750
- Inchikey
- JAMQFDQVIRENDO-NQLNTKRDSA-N
- Inchi
- InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(27)20-24(28)25(22)29-21(2)26/h7-8,10-11,19-20,27-28H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
- Isomeric Smiles
- CCCCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 6.9890
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.1440
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ardisiphenol c
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ardisiphenol c
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ardisiphenol c
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2-((8Z,11Z)-heptadeca-8,11-dienyl)-4,6-dihydroxyphenyl) acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
2-[(8Z,11Z)-heptadeca-8,11-dien-1-yl]-4,6-dihydroxyphenyl acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
2-[(8Z,11Z)-heptadeca-8,11-dien-1-yl]-4,6-dihydroxyphenyl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
386766-47-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
386766-47-8
Role
alias
Source
HERB_v2
Preferred
No
Name
6-(8'Z,11'Z-heptadecadienyl)-1,2,4-trihydroxybenzene-1-O-acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(8'Z,11'Z-heptadecadienyl)-1,2,4-trihydroxybenzene-1-O-acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
6-(8'z,11'z-Heptadecadienyl)-1,2,4-trihydroxybenzene-1-O-acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-(8'z,11'z-Heptadecadienyl)-1,2,4-trihydroxybenzene-1-O-acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65432
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65432
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27133877
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27133877
Role
alias
Source
itcmdb_public
Preferred
No
Name
[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,6-dihydroxyphenyl] acetate
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2-((8Z,11Z)-heptadeca-8,11-dienyl)-4,6-dihydroxyphenyl) acetate2-[(8Z,11Z)-heptadeca-8,11-dien-1-yl]-4,6-dihydroxyphenyl acetate386766-47-86-(8'Z,11'Z-heptadecadienyl)-1,2,4-trihydroxybenzene-1-O-acetate6-(8'z,11'z-Heptadecadienyl)-1,2,4-trihydroxybenzene-1-O-acetic acidCHEBI:65432Q27133877[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,6-dihydroxyphenyl] acetate
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016690
Npass
NPC123029
Tcmid
1652
Tcm Id
16342
Pub Chem
11741856
Tcmbank
TCMBANKIN040968
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-23(27)20-24(28)25(22)29-21(2)26/h7-8,10-11,19-20,27-28H,3-6,9,12-18H2,1-2H3/b8-7-,11-10-
Mol Wt
402.575
Smiles
CCCCCC=CCC=CCCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
Mol Log P
6.989000000000008
In Ch Ikey
JAMQFDQVIRENDO-NQLNTKRDSA-N
Mol2 Path
/TCM_database/2007_3d_all/01652.mol2
Reference
4244, 4152
Num Hdonors
2
Drug Likeness
0.144
Num Hacceptors
4
Isomeric Smiles
CCCCC/C=C\C/C=C\CCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
Canonical Smiles
CCCCCC=CCC=CCCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
Herb Alias Names
CHEBI:654326-(8'Z,11'Z-heptadecadienyl)-1,2,4-trihydroxybenzene-1-O-acetate2-[(8Z,11Z)-heptadeca-8,11-dien-1-yl]-4,6-dihydroxyphenyl acetate[2-[(8Z,11Z)-heptadeca-8,11-dienyl]-4,6-dihydroxyphenyl] acetate(2-((8Z,11Z)-heptadeca-8,11-dienyl)-4,6-dihydroxyphenyl) acetate2-((8Z,11Z)-heptadeca-8,11-dien-1-yl)-4,6-dihydroxyphenyl acetateQ271338776-(8'z,11'z-Heptadecadienyl)-1,2,4-trihydroxybenzene-1-O-acetic acid386766-47-8
Molecular Weight
402.6 g/mol
Molecular Formula
C25H38O4
Molecular Formula
C25H38O4
Num Rotatable Bonds
15