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
- 14980
- Core Entity Id
- 19815
- Source Entity Count
- 1
- Preferred Name
- Coeloginanthrin
- Name En
- Pubchem Id
- 10913128
- Smiles Canonical
- COC1=C2C=CC3=CC(=CC(=C3C2=CC(=C1OC)O)O)O
- Molecular Formula
- C16H14O5
- Molecular Weight
- 286.2830
- Inchikey
- RPXPLEKXBFYMQL-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H14O5/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h3-7,17-19H,1-2H3
- Isomeric Smiles
- COC1=C2C=CC3=CC(=CC(=C3C2=CC(=C1OC)O)O)O
- Cas Id
- Ob Score
- Mol Logp
- 3.1270
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.6310
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coeloginanthrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Coeloginanthrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coeloginanthrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Coeloginanthrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
毛唇贝母兰
Role
TCM_name
Source
TCMBank
Preferred
No
Name
MAO CHUN BEI MU LAN
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Cristate Coelogyne
Role
TCM_name_en
Source
TCMBank
Preferred
No
Name
3,5,7-trihydroxy-1,2-dimethoxyphenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
3,5,7-trihydroxy-1,2-dimethoxyphenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
382145-13-3
Role
alias
Source
itcmdb_public
Preferred
No
Name
382145-13-3
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8-dimethoxyphenanthrene-2,4,6-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8-dimethoxyphenanthrene-2,4,6-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID101031837
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID101031837
Role
alias
Source
HERB_v2
Preferred
No
Name
Q17332620
Role
alias
Source
HERB_v2
Preferred
No
Name
Q17332620
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
毛唇贝母兰MAO CHUN BEI MU LANCristate Coelogyne3,5,7-trihydroxy-1,2-dimethoxyphenanthrene382145-13-37,8-dimethoxyphenanthrene-2,4,6-triolDTXSID101031837Q17332620
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021226
Npass
NPC100449
Tcmid
3891
Pub Chem
10913128
Tcmbank
TCMBANKIN044358
Etcm Ingredient
Coeloginanthrin
Itcmdb Generated
ITX-INGREDIENT-DCF278E0FA35
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H14O5/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h3-7,17-19H,1-2H3
Mol Wt
286.283
Mol Log P
3.127000000000003
In Ch Ikey
RPXPLEKXBFYMQL-UHFFFAOYSA-N
Tcm Name
毛唇贝母兰
Tcm Name2
MAO CHUN BEI MU LAN
Mol2 Path
/TCM_database/2007_3d_all/03891.mol2
Reference
5198
Num Hdonors
3
Tcm Name En
Cristate Coelogyne
Drug Likeness
0.631
Num Hacceptors
5
Isomeric Smiles
COC1=C2C=CC3=CC(=CC(=C3C2=CC(=C1OC)O)O)O
Canonical Smiles
COC1=C2C=CC3=CC(=CC(=C3C2=CC(=C1OC)O)O)O
Herb Alias Names
7,8-dimethoxyphenanthrene-2,4,6-triolDTXSID1010318373,5,7-trihydroxy-1,2-dimethoxyphenanthreneQ17332620382145-13-3
Molecular Weight
286.080
Molecular Weight
286.28 g/mol
Molecular Formula
C16H14O5
Molecular Formula
C16H14O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.913
Quantitative Estimate Of Drug Likeness（Qed）
0.631