Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 1Ingredient: 1Target: 2Links: 5
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 1239
- Core Entity Id
- 4571
- Source Entity Count
- 1
- Preferred Name
- 2,6-dihydroxy-1,5,7-trimethoxyphenanthrene
- Name En
- Pubchem Id
- 11779542
- Smiles Canonical
- COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3OC)O)OC)O
- Molecular Formula
- C17H16O5
- Molecular Weight
- 300.3100
- Inchikey
- LLRLPRUFUGWYOL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C17H16O5/c1-20-13-8-9-4-5-11-10(6-7-12(18)16(11)21-2)14(9)17(22-3)15(13)19/h4-8,18-19H,1-3H3
- Isomeric Smiles
- COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3OC)O)OC)O
- Cas Id
- Ob Score
- Mol Logp
- 3.4300
- Num H Donors
- 2
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
2,6-Dihydroxy-1,5,7-trimethoxyphenanthrene
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
2,6-Dihydroxy-1,5,7-trimethoxyphenanthrene
Role
preferred
Source
TCMBank
Preferred
Yes
Name
2,6-dihydroxy-1,5,7-trimethoxyphenanthrene
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
2,6-dihydroxy-1,5,7-trimethoxyphenanthrene
Role
preferred
Source
HERB_v2
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
1,5,7-trimethoxyphenanthrene-2,6-diol
Role
alias
Source
HERB_v2
Preferred
No
Name
1,5,7-trimethoxyphenanthrene-2,6-diol
Role
alias
Source
itcmdb_public
Preferred
No
Name
118169-17-8
Role
alias
Source
itcmdb_public
Preferred
No
Name
118169-17-8
Role
alias
Source
HERB_v2
Preferred
No
Name
2,6-Phenanthrenediol, 1,5,7-trimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
2,6-Phenanthrenediol, 1,5,7-trimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL469491
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEMBL469491
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-72663
Role
alias
Source
HERB_v2
Preferred
No
Name
DA-72663
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70472452
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID70472452
Role
alias
Source
HERB_v2
Preferred
No
Name
Denthyrsinin
Role
alias
Source
HERB_v2
Preferred
No
Name
Denthyrsinin
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12286
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N12286
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5804721
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL5804721
Role
alias
Source
itcmdb_public
Preferred
No
Name
1,5,7-trimethoxy-2,6-phenanthrenediol
Role
preferred
Source
HERB_v2
Preferred
Yes
Aliases
Additional names normalized into the restored final schema.
密花石斛MI HUA SHI HUDenseflower Dendrobium1,5,7-trimethoxyphenanthrene-2,6-diol118169-17-82,6-Phenanthrenediol, 1,5,7-trimethoxy-CHEMBL469491DA-72663DTXSID70472452DenthyrsininHY-N12286SCHEMBL58047211,5,7-trimethoxy-2,6-phenanthrenediol
Cross References
Trusted external identifiers retained for this final record.
Cas
118169-17-8
Herb
HBIN004879HBIN001594
Npass
NPC220344
Tcmid
6162
Tcm Id
9516
Pub Chem
11779542
Tcmbank
TCMBANKIN041244TCMBANKIN016413
Etcm Ingredient
2,6-Dihydroxy-1,5,7-trimethoxyphenanthrene
Itcmdb Generated
ITX-INGREDIENT-425FFCC0BF1F
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H16O5/c1-20-13-8-9-4-5-11-10(6-7-12(18)16(11)21-2)14(9)17(22-3)15(13)19/h4-8,18-19H,1-3H3
Mol Wt
300.31
Mol Log P
3.430000000000003
In Ch Ikey
LLRLPRUFUGWYOL-UHFFFAOYSA-N
Tcm Name
密花石斛
Tcm Name2
MI HUA SHI HU
Mol2 Path
/TCM_database/2007_3d_all/06163.mol2
Reference
5171
Num Hdonors
2
Tcm Name En
Denseflower Dendrobium
Drug Likeness
0.725
Num Hacceptors
5
Isomeric Smiles
COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3OC)O)OC)O
Canonical Smiles
COC1=C(C(=C2C(=C1)C=CC3=C2C=CC(=C3OC)O)OC)O
Herb Alias Names
Denthyrsinin2,6-Phenanthrenediol, 1,5,7-trimethoxy-118169-17-81,5,7-trimethoxyphenanthrene-2,6-diolCHEMBL469491SCHEMBL5804721DTXSID70472452HY-N12286DA-72663
Molecular Weight
300.100
Molecular Weight
300.3 g/mol
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Molecular Formula
C17H16O5
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.225
Quantitative Estimate Of Drug Likeness（Qed）
0.725