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
- 14840
- Core Entity Id
- 19660
- Source Entity Count
- 1
- Preferred Name
- Cleavamine
- Name En
- Pubchem Id
- 21598353
- Smiles Canonical
- CCC1=CC2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3
- Molecular Formula
- C19H24N2
- Molecular Weight
- 280.4150
- Inchikey
- GWRGHAJVUZLGHL-OAHLLOKOSA-N
- Inchi
- InChI=1S/C19H24N2/c1-2-14-11-15-7-8-19-17(9-10-21(12-14)13-15)16-5-3-4-6-18(16)20-19/h3-6,11,15,20H,2,7-10,12-13H2,1H3/t15-/m1/s1
- Isomeric Smiles
- CCC1=C[C@H]2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3
- Cas Id
- Ob Score
- Mol Logp
- 3.9248
- Num H Donors
- 1
- Num H Acceptors
- 1
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.7840
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cleavamine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cleavamine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cleavamine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(15R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene
Role
alias
Source
HERB_v2
Preferred
No
Name
(15R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene
Role
alias
Source
itcmdb_public
Preferred
No
Name
(7R)-5-Ethyl-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole
Role
alias
Source
HERB_v2
Preferred
No
Name
(7R)-5-Ethyl-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole
Role
alias
Source
itcmdb_public
Preferred
No
Name
1674-01-7
Role
alias
Source
HERB_v2
Preferred
No
Name
1674-01-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
SCHEMBL3392857
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL3392857
Role
alias
Source
itcmdb_public
Preferred
No
Name
cleav-amine
Role
alias
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(15R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene(7R)-5-Ethyl-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole1674-01-7SCHEMBL3392857cleav-amine
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN021067
Npass
NPC61312
Tcmid
3284642989
Pub Chem
21598353
Tcmbank
TCMBANKIN033804
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C19H24N2/c1-2-14-11-15-7-8-19-17(9-10-21(12-14)13-15)16-5-3-4-6-18(16)20-19/h3-6,11,15,20H,2,7-10,12-13H2,1H3/t15-/m1/s1
Mol Wt
280.415
Smiles
CCC1=CC2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3
Mol Log P
3.924800000000003
In Ch Ikey
GWRGHAJVUZLGHL-OAHLLOKOSA-N
Num Hdonors
1
Drug Likeness
0.784
Num Hacceptors
1
Isomeric Smiles
CCC1=C[C@H]2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3
Canonical Smiles
CCC1=CC2CCC3=C(CCN(C2)C1)C4=CC=CC=C4N3
Herb Alias Names
1674-01-7SCHEMBL3392857(7R)-5-Ethyl-1,4,7,8,9,10-hexahydro-2H-3,7-methanoazacycloundecino[5,4-b]indole(15R)-17-ethyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9,16-pentaene
Molecular Weight
280.4 g/mol
Molecular Formula
C19H24N2
Molecular Formula
C19H24N2
Num Rotatable Bonds
1