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
- 18504
- Core Entity Id
- 23745
- Source Entity Count
- 1
- Preferred Name
- Erypoegin j
- Name En
- Pubchem Id
- 11133568
- Smiles Canonical
- CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=C5C=CC(OC5=C4)(C)C)O)OC)C
- Molecular Formula
- C26H28O5
- Molecular Weight
- 420.5050
- Inchikey
- KSXMILLEKYOTIP-AZGAKELHSA-N
- Inchi
- InChI=1S/C26H28O5/c1-15(2)6-7-17-20(28-5)9-8-19-23(17)30-24-18-12-16-10-11-25(3,4)31-21(16)13-22(18)29-14-26(19,24)27/h6,8-13,24,27H,7,14H2,1-5H3/t24-,26+/m0/s1
- Isomeric Smiles
- CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C=C5C=CC(OC5=C4)(C)C)O)OC)C
- Cas Id
- Ob Score
- Mol Logp
- 5.1018
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.7000
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erypoegin j
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erypoegin j
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erypoegin j
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025654
Npass
NPC97496
Tcmid
7315
Pub Chem
11133568
Tcmbank
TCMBANKIN046260
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H28O5/c1-15(2)6-7-17-20(28-5)9-8-19-23(17)30-24-18-12-16-10-11-25(3,4)31-21(16)13-22(18)29-14-26(19,24)27/h6,8-13,24,27H,7,14H2,1-5H3/t24-,26+/m0/s1
Mol Wt
420.5050000000002
Smiles
CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=C5C=CC(OC5=C4)(C)C)O)OC)C
Mol Log P
5.101800000000006
In Ch Ikey
KSXMILLEKYOTIP-AZGAKELHSA-N
Mol2 Path
/TCM_database/2007_3d_all/07316.mol2
Reference
3400
Num Hdonors
1
Drug Likeness
0.7
Num Hacceptors
5
Isomeric Smiles
CC(=CCC1=C(C=CC2=C1O[C@@H]3[C@]2(COC4=C3C=C5C=CC(OC5=C4)(C)C)O)OC)C
Canonical Smiles
CC(=CCC1=C(C=CC2=C1OC3C2(COC4=C3C=C5C=CC(OC5=C4)(C)C)O)OC)C
Molecular Weight
420.5 g/mol
Molecular Formula
C26H28O5
Molecular Formula
C26H28O5
Num Rotatable Bonds
3