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
- 18503
- Core Entity Id
- 23744
- Source Entity Count
- 1
- Preferred Name
- Erypoegin i
- Name En
- Pubchem Id
- 11760422
- Smiles Canonical
- CC(C)C(=O)CC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)OC
- Molecular Formula
- C21H22O6
- Molecular Weight
- 370.4010
- Inchikey
- AFOCANOUHLXZSA-LEWJYISDSA-N
- Inchi
- InChI=1S/C21H22O6/c1-11(2)16(23)9-14-17(25-3)7-6-15-19(14)27-20-13-5-4-12(22)8-18(13)26-10-21(15,20)24/h4-8,11,20,22,24H,9-10H2,1-3H3/t20-,21+/m0/s1
- Isomeric Smiles
- CC(C)C(=O)CC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C=CC(=C4)O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 2.8821
- Num H Donors
- 2
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.8610
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erypoegin i
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erypoegin i
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erypoegin i
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025653
Tcmid
7314
Pub Chem
11760422
Tcmbank
TCMBANKIN039694
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C21H22O6/c1-11(2)16(23)9-14-17(25-3)7-6-15-19(14)27-20-13-5-4-12(22)8-18(13)26-10-21(15,20)24/h4-8,11,20,22,24H,9-10H2,1-3H3/t20-,21+/m0/s1
Mol Wt
370.401
Smiles
CC(C)C(=O)CC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)OC
Mol Log P
2.882100000000002
In Ch Ikey
AFOCANOUHLXZSA-LEWJYISDSA-N
Mol2 Path
/TCM_database/2007_3d_all/07315.mol2
Reference
3400
Num Hdonors
2
Drug Likeness
0.861
Num Hacceptors
6
Isomeric Smiles
CC(C)C(=O)CC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C=CC(=C4)O)O)OC
Canonical Smiles
CC(C)C(=O)CC1=C(C=CC2=C1OC3C2(COC4=C3C=CC(=C4)O)O)OC
Molecular Weight
370.4 g/mol
Molecular Formula
C21H22O6
Molecular Formula
C21H22O6
Num Rotatable Bonds
4