Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 18520
- Core Entity Id
- 23763
- Source Entity Count
- 1
- Preferred Name
- Erysoline
- Name En
- Pubchem Id
- 21679845
- Smiles Canonical
- COC1=C(C=C2C(=C1)CCN3C24CC(C=CC4=CC3)O)O
- Molecular Formula
- C17H19NO3
- Molecular Weight
- 285.3430
- Inchikey
- HBCNXWUNPXIERK-GUYCJALGSA-N
- Inchi
- InChI=1S/C17H19NO3/c1-21-16-8-11-4-6-18-7-5-12-2-3-13(19)10-17(12,18)14(11)9-15(16)20/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17-/m0/s1
- Isomeric Smiles
- COC1=C(C=C2C(=C1)CCN3[C@]24C[C@H](C=CC4=CC3)O)O
- Cas Id
- Ob Score
- Mol Logp
- 1.7150
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8250
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Erysoline
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Erysoline
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
erysoline
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN025669
Npass
NPC65059
Tcmid
7322
Tcm Id
225604534
Pub Chem
21679845
Tcmbank
TCMBANKIN005125
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C17H19NO3/c1-21-16-8-11-4-6-18-7-5-12-2-3-13(19)10-17(12,18)14(11)9-15(16)20/h2-3,5,8-9,13,19-20H,4,6-7,10H2,1H3/t13-,17-/m0/s1
Mol Wt
285.343
Smiles
COC1=C(C=C2C(=C1)CCN3C24CC(C=CC4=CC3)O)O
Mol Log P
1.715
In Ch Ikey
HBCNXWUNPXIERK-GUYCJALGSA-N
Num Hdonors
2
Drug Likeness
0.825
Num Hacceptors
4
Isomeric Smiles
COC1=C(C=C2C(=C1)CCN3[C@]24C[C@H](C=CC4=CC3)O)O
Canonical Smiles
COC1=C(C=C2C(=C1)CCN3C24CC(C=CC4=CC3)O)O
Molecular Weight
285.34 g/mol
Molecular Formula
C17H19NO3
Molecular Formula
C17H19NO3
Num Rotatable Bonds
1