Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14979
- Core Entity Id
- 19814
- Source Entity Count
- 1
- Preferred Name
- Coeloginanthridin
- Name En
- Pubchem Id
- 636881
- Smiles Canonical
- COC1=C2CCC3=C(C2=CC(=C1OC)O)C(=CC(=C3)O)O
- Molecular Formula
- C16H16O5
- Molecular Weight
- 288.2990
- Inchikey
- MMXRNRQNOAKVBD-UHFFFAOYSA-N
- Inchi
- InChI=1S/C16H16O5/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h5-7,17-19H,3-4H2,1-2H3
- Isomeric Smiles
- COC1=C2CCC3=C(C2=CC(=C1OC)O)C(=CC(=C3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 2.5862
- Num H Donors
- 3
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7910
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Coeloginanthridin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Coeloginanthridin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Coeloginanthridin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Coeloginanthridin
Role
preferred
Source
HERB_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
2,4,6-phenanthrenetriol, 9,10-dihydro-7,8-dimethoxy-
Role
alias
Source
HERB_v2
Preferred
No
Name
2,4,6-phenanthrenetriol, 9,10-dihydro-7,8-dimethoxy-
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-Trihydroxy-1,2-dimethoxy-9,10-dihydrophenanthrene
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,5,7-Trihydroxy-1,2-dimethoxy-9,10-dihydrophenanthrene
Role
alias
Source
HERB_v2
Preferred
No
Name
7,8-Dimethoxy-9,10-dihydro-phenanthrene-2,4,6-triol
Role
alias
Source
itcmdb_public
Preferred
No
Name
7,8-dimethoxy-9,10-dihydrophenanthrene-2,4,6-triol
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C16H16O5/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h5-7,17-19H,3-4H2,1-2H
Role
alias
Source
HERB_v2
Preferred
No
Name
InChI=1/C16H16O5/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h5-7,17-19H,3-4H2,1-2H
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 Coelogyne2,4,6-phenanthrenetriol, 9,10-dihydro-7,8-dimethoxy-3,5,7-Trihydroxy-1,2-dimethoxy-9,10-dihydrophenanthrene7,8-Dimethoxy-9,10-dihydro-phenanthrene-2,4,6-triol7,8-dimethoxy-9,10-dihydrophenanthrene-2,4,6-triolInChI=1/C16H16O5/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h5-7,17-19H,3-4H2,1-2H
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021225
Npass
NPC255322
Tcmid
3890
Pub Chem
636881
Tcmbank
TCMBANKIN049936
Etcm Ingredient
Coeloginanthridin
Itcmdb Generated
ITX-INGREDIENT-D18087E00D74
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C16H16O5/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h5-7,17-19H,3-4H2,1-2H3
Mol Wt
288.299
Mol Log P
2.586200000000002
In Ch Ikey
MMXRNRQNOAKVBD-UHFFFAOYSA-N
Tcm Name
毛唇贝母兰
Tcm Name2
MAO CHUN BEI MU LAN
Mol2 Path
/TCM_database/2007_3d_all/03890.mol2
Reference
5198
Num Hdonors
3
Tcm Name En
Cristate Coelogyne
Drug Likeness
0.791
Num Hacceptors
5
Isomeric Smiles
COC1=C2CCC3=C(C2=CC(=C1OC)O)C(=CC(=C3)O)O
Canonical Smiles
COC1=C2CCC3=C(C2=CC(=C1OC)O)C(=CC(=C3)O)O
Herb Alias Names
3,5,7-Trihydroxy-1,2-dimethoxy-9,10-dihydrophenanthrene7,8-dimethoxy-9,10-dihydrophenanthrene-2,4,6-triol2,4,6-phenanthrenetriol, 9,10-dihydro-7,8-dimethoxy-7,8-Dimethoxy-9,10-dihydro-phenanthrene-2,4,6-triolInChI=1/C16H16O5/c1-20-15-10-4-3-8-5-9(17)6-12(18)14(8)11(10)7-13(19)16(15)21-2/h5-7,17-19H,3-4H2,1-2H
Molecular Weight
288.100
Molecular Weight
288.29 g/mol
Molecular Formula
C16H16O5
Molecular Formula
C16H16O5
Num Rotatable Bonds
2
Fda Maximum Daily Dose (Fdamdd)
0.699
Quantitative Estimate Of Drug Likeness（Qed）
0.791