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
- 6163
- Core Entity Id
- 10033
- Source Entity Count
- 1
- Preferred Name
- 4-methoxyphenanthrene-2,3,6,7-tetrol
- Name En
- Pubchem Id
- 5319479
- Smiles Canonical
- COC1=C2C(=CC(=C1O)O)C=CC3=CC(=C(C=C32)O)O
- Molecular Formula
- C15H12O5
- Molecular Weight
- 272.2560
- Inchikey
- GYHVMSCUKRSHOT-UHFFFAOYSA-N
- Inchi
- InChI=1S/C15H12O5/c1-20-15-13-8(5-12(18)14(15)19)3-2-7-4-10(16)11(17)6-9(7)13/h2-6,16-19H,1H3
- Isomeric Smiles
- COC1=C2C(=CC(=C1O)O)C=CC3=CC(=C(C=C32)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.8240
- Num H Donors
- 4
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.4040
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
4-Methoxyphenanthrene-2,3,6,7-tetrol
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
4-Methoxyphenanthrene-2,3,6,7-tetrol
Role
preferred
Source
TCMBank
Preferred
Yes
Name
4-methoxyphenanthrene-2,3,6,7-tetrol
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
4-methoxyphenanthrene-2,3,6,7-tetrol
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
232950-11-7
Role
alias
Source
HERB_v2
Preferred
No
Name
232950-11-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL22978750
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL22978750
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
鞘石豆兰QIAO SHI DOU LANVaginate Stonebean-orchis*232950-11-7SCHEMBL22978750
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN010638
Tcmid
14043
Pub Chem
5319479
Tcmbank
TCMBANKIN048170
Etcm Ingredient
4-Methoxyphenanthrene-2,3,6,7-tetrol
Itcmdb Generated
ITX-INGREDIENT-5647E8F62783
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C15H12O5/c1-20-15-13-8(5-12(18)14(15)19)3-2-7-4-10(16)11(17)6-9(7)13/h2-6,16-19H,1H3
Mol Wt
272.256
Mol Log P
2.824000000000002
In Ch Ikey
GYHVMSCUKRSHOT-UHFFFAOYSA-N
Tcm Name
鞘石豆兰
Tcm Name2
QIAO SHI DOU LAN
Mol2 Path
/TCM_database/2007_3d_all/14050.mol2
Reference
1870
Num Hdonors
4
Tcm Name En
Vaginate Stonebean-orchis*
Drug Likeness
0.404
Num Hacceptors
5
Isomeric Smiles
COC1=C2C(=CC(=C1O)O)C=CC3=CC(=C(C=C32)O)O
Canonical Smiles
COC1=C2C(=CC(=C1O)O)C=CC3=CC(=C(C=C32)O)O
Herb Alias Names
SCHEMBL22978750232950-11-7
Molecular Weight
272.070
Molecular Weight
272.25 g/mol
Molecular Formula
C15H12O5
Molecular Formula
C15H12O5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.919
Quantitative Estimate Of Drug Likeness（Qed）
0.404