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
- 23713
- Core Entity Id
- 29544
- Source Entity Count
- 1
- Preferred Name
- Karachine
- Name En
- Pubchem Id
- 630739
- Smiles Canonical
- CC12CC3C4=C(C1C5(N3CCC6=CC7=C(C=C65)OCO7)CC(=O)C2)C=CC(=C4OC)OC
- Molecular Formula
- C26H27NO5
- Molecular Weight
- 433.5040
- Inchikey
- CFSSZVBJSHOACV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C26H27NO5/c1-25-10-15(28)11-26-17-9-21-20(31-13-32-21)8-14(17)6-7-27(26)18(12-25)22-16(24(25)26)4-5-19(29-2)23(22)30-3/h4-5,8-9,18,24H,6-7,10-13H2,1-3H3
- Isomeric Smiles
- CC12CC3C4=C(C1C5(N3CCC6=CC7=C(C=C65)OCO7)CC(=O)C2)C=CC(=C4OC)OC
- Cas Id
- Ob Score
- Mol Logp
- 4.0973
- Num H Donors
- 0
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 2
- Drug Likeness
- 0.7110
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Karachine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Karachine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
karachine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(.+/-.)-Karachine
Role
alias
Source
HERB_v2
Preferred
No
Name
(.+/-.)-Karachine
Role
alias
Source
itcmdb_public
Preferred
No
Name
CFSSZVBJSHOACV-UHFFFAOYSA-N
Role
alias
Source
itcmdb_public
Preferred
No
Name
CFSSZVBJSHOACV-UHFFFAOYSA-N
Role
alias
Source
HERB_v2
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(.+/-.)-KarachineCFSSZVBJSHOACV-UHFFFAOYSA-N
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032086
Npass
NPC276478
Tcmid
36268
Pub Chem
630739
Tcmbank
TCMBANKIN036541
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C26H27NO5/c1-25-10-15(28)11-26-17-9-21-20(31-13-32-21)8-14(17)6-7-27(26)18(12-25)22-16(24(25)26)4-5-19(29-2)23(22)30-3/h4-5,8-9,18,24H,6-7,10-13H2,1-3H3
Mol Wt
433.5040000000002
Smiles
CC12CC3C4=C(C1C5(N3CCC6=CC7=C(C=C65)OCO7)CC(=O)C2)C=CC(=C4OC)OC
Mol Log P
4.097300000000003
In Ch Ikey
CFSSZVBJSHOACV-UHFFFAOYSA-N
Num Hdonors
0
Drug Likeness
0.711
Num Hacceptors
6
Isomeric Smiles
CC12CC3C4=C(C1C5(N3CCC6=CC7=C(C=C65)OCO7)CC(=O)C2)C=CC(=C4OC)OC
Canonical Smiles
CC12CC3C4=C(C1C5(N3CCC6=CC7=C(C=C65)OCO7)CC(=O)C2)C=CC(=C4OC)OC
Herb Alias Names
(.+/-.)-KarachineCFSSZVBJSHOACV-UHFFFAOYSA-N
Molecular Formula
C26H27NO5
Molecular Formula
C26H27NO5
Num Rotatable Bonds
2