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
- 11301
- Core Entity Id
- 15728
- Source Entity Count
- 1
- Preferred Name
- Ardisiphenol a
- Name En
- Pubchem Id
- 10091080
- Smiles Canonical
- CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
- Molecular Formula
- C23H38O4
- Molecular Weight
- 378.5530
- Inchikey
- DHSHIDBWARFSDH-UHFFFAOYSA-N
- Inchi
- InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(25)18-22(26)23(20)27-19(2)24/h17-18,25-26H,3-16H2,1-2H3
- Isomeric Smiles
- CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
- Cas Id
- Ob Score
- Mol Logp
- 6.6568
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 15
- Drug Likeness
- 0.2030
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Ardisiphenol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Ardisiphenol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
ardisiphenol a
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(2,4-dihydroxy-6-pentadecylphenyl) acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4-dihydroxy-6-pentadecylphenyl acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
387816-66-2
Role
alias
Source
HERB_v2
Preferred
No
Name
387816-66-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Pentadecyl-1,2,4-benzenetriol 1-Acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
6-Pentadecyl-1,2,4-benzenetriol 1-Acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Pentadecyl-1,2,4-trihydroxybenzene-1-O-acetic acid
Role
alias
Source
itcmdb_public
Preferred
No
Name
6-Pentadecyl-1,2,4-trihydroxybenzene-1-O-acetic acid
Role
alias
Source
HERB_v2
Preferred
No
Name
6-pentadecyl-1,2,4-trihydroxybenzene-1-O-acetate
Role
alias
Source
HERB_v2
Preferred
No
Name
6-pentadecyl-1,2,4-trihydroxybenzene-1-O-acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:65430
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:65430
Role
alias
Source
itcmdb_public
Preferred
No
Name
Q27133874
Role
alias
Source
HERB_v2
Preferred
No
Name
Q27133874
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(2,4-dihydroxy-6-pentadecylphenyl) acetate2,4-dihydroxy-6-pentadecylphenyl acetate387816-66-26-Pentadecyl-1,2,4-benzenetriol 1-Acetate6-Pentadecyl-1,2,4-trihydroxybenzene-1-O-acetic acid6-pentadecyl-1,2,4-trihydroxybenzene-1-O-acetateCHEBI:65430Q27133874
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN016688
Npass
NPC251555
Tcmid
1650
Tcm Id
16340
Pub Chem
10091080
Tcmbank
TCMBANKIN043217
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C23H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17-21(25)18-22(26)23(20)27-19(2)24/h17-18,25-26H,3-16H2,1-2H3
Mol Wt
378.5530000000001
Smiles
CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
Mol Log P
6.656800000000008
In Ch Ikey
DHSHIDBWARFSDH-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/01650.mol2
Reference
4244, 4152
Num Hdonors
2
Drug Likeness
0.203
Num Hacceptors
4
Isomeric Smiles
CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
Canonical Smiles
CCCCCCCCCCCCCCCC1=C(C(=CC(=C1)O)O)OC(=O)C
Herb Alias Names
387816-66-2(2,4-dihydroxy-6-pentadecylphenyl) acetate2,4-dihydroxy-6-pentadecylphenyl acetateCHEBI:654306-pentadecyl-1,2,4-trihydroxybenzene-1-O-acetate6-Pentadecyl-1,2,4-benzenetriol 1-Acetate6-Pentadecyl-1,2,4-trihydroxybenzene-1-O-acetic acidQ27133874
Molecular Weight
378.5 g/mol
Molecular Formula
C23H38O4
Molecular Formula
C23H38O4
Num Rotatable Bonds
15