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
- 18498
- Core Entity Id
- 23738
- Source Entity Count
- 1
- Preferred Name
- Erypoegin d
- Name En
- Pubchem Id
- 5317199
- Smiles Canonical
- CC(=CCC1=CC(=C(C=C1O)OC)C2COC3=CC(=CC(=C3C2=O)O)OC)C
- Molecular Formula
- C22H24O6
- Molecular Weight
- 384.4280
- Inchikey
- RGXQEROHDTYEQG-UHFFFAOYSA-N
- Inchi
- InChI=1S/C22H24O6/c1-12(2)5-6-13-7-15(19(27-4)10-17(13)23)16-11-28-20-9-14(26-3)8-18(24)21(20)22(16)25/h5,7-10,16,23-24H,6,11H2,1-4H3
- Isomeric Smiles
- CC(=CCC1=CC(=C(C=C1O)OC)C2COC3=CC(=CC(=C3C2=O)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9826
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7590
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erypoegin d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erypoegin d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erypoegin d
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025648
Npass
NPC83523
Tcmid
7309
Pub Chem
5317199
Tcmbank
TCMBANKIN043505
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C22H24O6/c1-12(2)5-6-13-7-15(19(27-4)10-17(13)23)16-11-28-20-9-14(26-3)8-18(24)21(20)22(16)25/h5,7-10,16,23-24H,6,11H2,1-4H3
Mol Wt
384.4280000000002
Smiles
CC(=CCC1=CC(=C(C=C1O)OC)C2COC3=CC(=CC(=C3C2=O)O)OC)C
Mol Log P
3.982600000000003
In Ch Ikey
RGXQEROHDTYEQG-UHFFFAOYSA-N
Mol2 Path
/TCM_database/2007_3d_all/07310.mol2
Reference
1972
Num Hdonors
2
Drug Likeness
0.759
Num Hacceptors
6
Isomeric Smiles
CC(=CCC1=CC(=C(C=C1O)OC)C2COC3=CC(=CC(=C3C2=O)O)OC)C
Canonical Smiles
CC(=CCC1=CC(=C(C=C1O)OC)C2COC3=CC(=CC(=C3C2=O)O)OC)C
Molecular Weight
384.4 g/mol
Molecular Formula
C22H24O6
Molecular Formula
C22H24O6
Num Rotatable Bonds
5