Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 6165
- Core Entity Id
- 10035
- Source Entity Count
- 1
- Preferred Name
- 4-methoxyphenanthrene-2,3,7-triol
- Name En
- Pubchem Id
- 5319480
- Smiles Canonical
- COC1=C2C(=CC(=C1O)O)C=CC3=C2C=CC(=C3)O
- Molecular Formula
- C15H12O4
- Molecular Weight
- 256.2570
- Inchikey
- YBJKNBNSKTTXKK-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O4/c1-19-15-13-9(7-12(17)14(15)18)3-2-8-6-10(16)4-5-11(8)13/h2-7,16-18H,1H3
- Isomeric Smiles
- COC1=C2C(=CC(=C1O)O)C=CC3=C2C=CC(=C3)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1184
- Num H Donors
- 3
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4620
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Methoxyphenanthrene-2, 3, 7-Triol
Role
preferred
Source
SymMap_v2
Preferred
Yes
Name
4-Methoxyphenanthrene-2,3,7-triol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-Methoxyphenanthrene-2,3,7-triol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methoxyphenanthrene-2,3,7-triol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-methoxyphenanthrene-2,3,7-triol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
鞘石豆兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
QIAO SHI DOU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Vaginate Stonebean-orchis*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
232950-07-1
Role
alias
Source
itcmdb_public
Preferred
No
Name
232950-07-1
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4448456
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEMBL4448456
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
4-Methoxyphenanthrene-2, 3, 7-Triol鞘石豆兰QIAO SHI DOU LANVaginate Stonebean-orchis*232950-07-1CHEMBL4448456
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010639
Npass
NPC32357
Tcmid
1404440964
Sym Map
SMIT21538
Pub Chem
5319480
Tcmbank
TCMBANKIN004400TCMBANKIN015189
Etcm Ingredient
4-Methoxyphenanthrene-2,3,7-triol
Itcmdb Generated
ITX-INGREDIENT-A8429C460088ITX-INGREDIENT-C8E6D8E1F30DITX-INGREDIENT-D6C99BA68C1A
Attributes
Merged source attributes and domain-specific metadata.
Type
Other ingredients
In Ch I
InChI=1S/C15H12O4/c1-19-15-13-9(7-12(17)14(15)18)3-2-8-6-10(16)4-5-11(8)13/h2-7,16-18H,1H3
Mol Wt
256.257
Smiles
COC1=C2C(=CC(=C1O)O)C=CC3=C2C=CC(=C3)O
Mol Log P
3.118400000000002
Version
v2
In Ch Ikey
YBJKNBNSKTTXKK-UHFFFAOYSA-N
Suppress
0
Tcm Name
鞘石豆兰
Tcm Name2
QIAO SHI DOU LAN
Mol2 Path
/TCM_database/2007_3d_all/14051.mol2
Reference
1870
Num Hdonors
3
Tcm Name En
Vaginate Stonebean-orchis*
Drug Likeness
0.462
Num Hacceptors
4
Isomeric Smiles
COC1=C2C(=CC(=C1O)O)C=CC3=C2C=CC(=C3)O
Canonical Smiles
COC1=C2C(=CC(=C1O)O)C=CC3=C2C=CC(=C3)O
Herb Alias Names
CHEMBL4448456232950-07-1
Molecular Weight
256.070
Molecular Weight
256.25 g/mol
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Molecular Formula
C15H12O4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.885
Quantitative Estimate Of Drug Likeness（Qed）
0.462