Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 2Ingredient: 1Links: 2
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 16435
- Core Entity Id
- 21437
- Source Entity Count
- 1
- Preferred Name
- Dehydrocoreximine
- Name En
- Pubchem Id
- 101731565
- Smiles Canonical
- COC1=CC2=C[NH+]3CCC4=CC(=C(C=C4C3=CC2=CC1=O)O)OC
- Molecular Formula
- C19H18NO4+
- Molecular Weight
- 324.3560
- Inchikey
- JINZPDPFJUIUQY-UHFFFAOYSA-O
- Inchi
- InChI=1S/C19H17NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h5-10,22H,3-4H2,1-2H3/p+1
- Isomeric Smiles
- COC1=CC2=C[NH+]3CCC4=CC(=C(C=C4C3=CC2=CC1=O)O)OC
- Cas Id
- Ob Score
- Mol Logp
- 1.1196
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.8560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Dehydrocoreximine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Dehydrocoreximine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Dehydrocoreximine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
dehydrocoreximine(perchlorate)
Role
TCM_name2
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
dehydrocoreximine(perchlorate)
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022995HBIN022996
Npass
NPC19722
Tcmid
356304885
Pub Chem
101731565
Tcmbank
TCMBANKIN061894
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H17NO4/c1-23-18-7-11-3-4-20-10-13-8-19(24-2)16(21)6-12(13)5-15(20)14(11)9-17(18)22/h5-10,22H,3-4H2,1-2H3/p+1
Mol Wt
324.3560000000001
Smiles
COC1=CC2=C[NH+]3CCC4=CC(=C(C=C4C3=CC2=CC1=O)O)OC
Mol Log P
1.1196
In Ch Ikey
JINZPDPFJUIUQY-UHFFFAOYSA-O
Tcm Name2
dehydrocoreximine(perchlorate)
Num Hdonors
2
Drug Likeness
0.856
Num Hacceptors
4
Isomeric Smiles
COC1=CC2=C[NH+]3CCC4=CC(=C(C=C4C3=CC2=CC1=O)O)OC
Canonical Smiles
COC1=CC2=C[NH+]3CCC4=CC(=C(C=C4C3=CC2=CC1=O)O)OC
Molecular Weight
324.3 g/mol
Molecular Formula
C19H18NO4+
Molecular Formula
C19H18NO4+
Num Rotatable Bonds
2