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
- 18501
- Core Entity Id
- 23742
- Source Entity Count
- 1
- Preferred Name
- Erypoegin g
- Name En
- Pubchem Id
- 10883453
- Smiles Canonical
- CC1(C=CC2=CC(=C(C=C2O1)OC)C3COC4=CC(=CC(=C4C3=O)O)OC)C
- Molecular Formula
- C22H22O6
- Molecular Weight
- 382.4120
- Inchikey
- QXPUHSMJCUBFPG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H22O6/c1-22(2)6-5-12-7-14(18(26-4)10-17(12)28-22)15-11-27-19-9-13(25-3)8-16(23)20(19)21(15)24/h5-10,15,23H,11H2,1-4H3
- Isomeric Smiles
- CC1(C=CC2=CC(=C(C=C2O1)OC)C3COC4=CC(=CC(=C4C3=O)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9525
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.8660
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erypoegin g
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Erypoegin g
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
erypoegin g
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025651
Npass
NPC199165
Tcmid
7312
Pub Chem
10883453
Tcmbank
TCMBANKIN049197
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H22O6/c1-22(2)6-5-12-7-14(18(26-4)10-17(12)28-22)15-11-27-19-9-13(25-3)8-16(23)20(19)21(15)24/h5-10,15,23H,11H2,1-4H3
Mol Wt
382.4120000000001
Smiles
CC1(C=CC2=CC(=C(C=C2O1)OC)C3COC4=CC(=CC(=C4C3=O)O)OC)C
Mol Log P
3.952500000000004
In Ch Ikey
QXPUHSMJCUBFPG-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07313.mol2
Reference
3400
Num Hdonors
1
Drug Likeness
0.866
Num Hacceptors
6
Isomeric Smiles
CC1(C=CC2=CC(=C(C=C2O1)OC)C3COC4=CC(=CC(=C4C3=O)O)OC)C
Canonical Smiles
CC1(C=CC2=CC(=C(C=C2O1)OC)C3COC4=CC(=CC(=C4C3=O)O)OC)C
Molecular Weight
382.4 g/mol
Molecular Formula
C22H22O6
Molecular Formula
C22H22O6
Num Rotatable Bonds
3