Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16708
- Core Entity Id
- 21741
- Source Entity Count
- 1
- Preferred Name
- Densiflorol a
- Name En
- Pubchem Id
- 637412
- Smiles Canonical
- COC1=CC(=CC(=C1)O)CCC2=CC3=C(C=C2)OCO3
- Molecular Formula
- C16H16O4
- Molecular Weight
- 272.3000
- Inchikey
- WXLWYVQONUUBMT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O4/c1-18-14-7-12(6-13(17)9-14)3-2-11-4-5-15-16(8-11)20-10-19-15/h4-9,17H,2-3,10H2,1H3
- Isomeric Smiles
- COC1=CC(=CC(=C1)O)CCC2=CC3=C(C=C2)OCO3
- Cas Id
- Ob Score
- Mol Logp
- 2.9147
- Num H Donors
- 1
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.9290
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Densiflorol A
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Densiflorol A
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Densiflorol a
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Densiflorol a
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
密花石斛
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MI HUA SHI HU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Denseflower Dendrobium
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3-(2-Benzo[1,3]dioxol-5-yl-ethyl)-5-methoxy-phenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(2-Benzo[1,3]dioxol-5-yl-ethyl)-5-methoxy-phenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxyphenol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxyphenol
Role
alias
Source
itcmdb_public
Preferred
No
Name
303088-44-0
Role
alias
Source
HERB_v2
Preferred
No
Name
303088-44-0
Role
alias
Source
itcmdb_public
Preferred
No
Name
5-(2'-(3''-hydroxy-5''-methoxyphenyl)-ethyl)-1,3-benzodioxole
Role
alias
Source
HERB_v2
Preferred
No
Name
5-[2'-(3''-Hydroxy-5''-methoxyphenyl)-ethyl]-1,3-benzodioxole
Role
alias
Source
itcmdb_public
Preferred
No
Name
BDBM50346821
Role
alias
Source
HERB_v2
Preferred
No
Name
BDBM50346821
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1796012
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL1796012
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00348434
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID00348434
Role
alias
Source
itcmdb_public
Preferred
No
Name
phenol, 3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
phenol, 3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
密花石斛MI HUA SHI HUDenseflower Dendrobium3-(2-Benzo[1,3]dioxol-5-yl-ethyl)-5-methoxy-phenol3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxyphenol303088-44-05-(2'-(3''-hydroxy-5''-methoxyphenyl)-ethyl)-1,3-benzodioxole5-[2'-(3''-Hydroxy-5''-methoxyphenyl)-ethyl]-1,3-benzodioxoleBDBM50346821CHEMBL1796012DTXSID00348434phenol, 3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxy-
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN023323
Npass
NPC63574
Tcmid
5131
Pub Chem
637412
Tcmbank
TCMBANKIN046092
Etcm Ingredient
Densiflorol A
Itcmdb Generated
ITX-INGREDIENT-EBD086CCE297
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H16O4/c1-18-14-7-12(6-13(17)9-14)3-2-11-4-5-15-16(8-11)20-10-19-15/h4-9,17H,2-3,10H2,1H3
Mol Wt
272.3
Mol Log P
2.914700000000002
In Ch Ikey
WXLWYVQONUUBMT-UHFFFAOYSA-N
Tcm Name
密花石斛
Tcm Name2
MI HUA SHI HU
Mol2 Path
/TCM_database/2007_3d_all/05132.mol2
Reference
5171
Num Hdonors
1
Tcm Name En
Denseflower Dendrobium
Drug Likeness
0.929
Num Hacceptors
4
Isomeric Smiles
COC1=CC(=CC(=C1)O)CCC2=CC3=C(C=C2)OCO3
Canonical Smiles
COC1=CC(=CC(=C1)O)CCC2=CC3=C(C=C2)OCO3
Herb Alias Names
3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxyphenol303088-44-0CHEMBL17960125-(2'-(3''-hydroxy-5''-methoxyphenyl)-ethyl)-1,3-benzodioxole5-[2'-(3''-Hydroxy-5''-methoxyphenyl)-ethyl]-1,3-benzodioxolephenol, 3-[2-(1,3-benzodioxol-5-yl)ethyl]-5-methoxy-DTXSID00348434BDBM503468213-(2-Benzo[1,3]dioxol-5-yl-ethyl)-5-methoxy-phenol
Molecular Weight
272.100
Molecular Weight
272.29 g/mol
Molecular Formula
C16H16O4
Molecular Formula
C16H16O4
Num Rotatable Bonds
4
Fda Maximum Daily Dose (Fdamdd)
0.893
Quantitative Estimate Of Drug Likeness（Qed）
0.929