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
- 11564
- Core Entity Id
- 16021
- Source Entity Count
- 1
- Preferred Name
- Arundanine
- Name En
- Pubchem Id
- 12972759
- Smiles Canonical
- CN(C)CCC1=CNC2=C1C(=C(C=C2)O)N3C=C(C4=CC=CC=C43)CCN(C)C
- Molecular Formula
- C24H30N4O
- Molecular Weight
- 390.5310
- Inchikey
- CMWJUTZFSDKTAV-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H30N4O/c1-26(2)13-11-17-15-25-20-9-10-22(29)24(23(17)20)28-16-18(12-14-27(3)4)19-7-5-6-8-21(19)28/h5-10,15-16,25,29H,11-14H2,1-4H3
- Isomeric Smiles
- CN(C)CCC1=CNC2=C1C(=C(C=C2)O)N3C=C(C4=CC=CC=C43)CCN(C)C
- Cas Id
- Ob Score
- Mol Logp
- 4.0256
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 7
- Drug Likeness
- 0.5010
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arundanine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arundanine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
arundanine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
3,3'-Bis[2-(dimethylamino)ethyl]-1'H-[1,4'-biindol]-5'-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3,3'-Bis[2-(dimethylamino)ethyl]-1'H-[1,4'-biindol]-5'-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
3-(N,N-dimethylaminoethyl)-4-[3-(N,N-dimethylaminoethyl)indole-1-yl]-5-hydroxyindole
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-(N,N-dimethylaminoethyl)-4-[3-(N,N-dimethylaminoethyl)indole-1-yl]-5-hydroxyindole
Role
alias
Source
HERB_v2
Preferred
No
Name
3-[2-(dimethylamino)ethyl]-4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1H-indol-5-ol
Role
alias
Source
itcmdb_public
Preferred
No
Name
3-[2-(dimethylamino)ethyl]-4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1H-indol-5-ol
Role
alias
Source
HERB_v2
Preferred
No
Name
618852-71-4
Role
alias
Source
itcmdb_public
Preferred
No
Name
618852-71-4
Role
alias
Source
HERB_v2
Preferred
No
Name
CS-0857256
Role
alias
Source
itcmdb_public
Preferred
No
Name
CS-0857256
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID30514246
Role
alias
Source
itcmdb_public
Preferred
No
Name
DTXSID30514246
Role
alias
Source
HERB_v2
Preferred
No
Name
G89034
Role
alias
Source
HERB_v2
Preferred
No
Name
G89034
Role
alias
Source
itcmdb_public
Preferred
No
Name
HY-N11803
Role
alias
Source
HERB_v2
Preferred
No
Name
HY-N11803
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
3,3'-Bis[2-(dimethylamino)ethyl]-1'H-[1,4'-biindol]-5'-ol3-(N,N-dimethylaminoethyl)-4-[3-(N,N-dimethylaminoethyl)indole-1-yl]-5-hydroxyindole3-[2-(dimethylamino)ethyl]-4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1H-indol-5-ol618852-71-4CS-0857256DTXSID30514246G89034HY-N11803
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017005
Npass
NPC305790
Tcmid
37309
Pub Chem
12972759
Tcmbank
TCMBANKIN023688
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H30N4O/c1-26(2)13-11-17-15-25-20-9-10-22(29)24(23(17)20)28-16-18(12-14-27(3)4)19-7-5-6-8-21(19)28/h5-10,15-16,25,29H,11-14H2,1-4H3
Mol Wt
390.5310000000002
Smiles
CN(C)CCC1=CNC2=C1C(=C(C=C2)O)N3C=C(C4=CC=CC=C43)CCN(C)C
Mol Log P
4.025600000000003
In Ch Ikey
CMWJUTZFSDKTAV-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.501
Num Hacceptors
4
Isomeric Smiles
CN(C)CCC1=CNC2=C1C(=C(C=C2)O)N3C=C(C4=CC=CC=C43)CCN(C)C
Canonical Smiles
CN(C)CCC1=CNC2=C1C(=C(C=C2)O)N3C=C(C4=CC=CC=C43)CCN(C)C
Herb Alias Names
618852-71-4DTXSID305142463,3'-Bis[2-(dimethylamino)ethyl]-1'H-[1,4'-biindol]-5'-olHY-N118033-[2-(dimethylamino)ethyl]-4-[3-[2-(dimethylamino)ethyl]indol-1-yl]-1H-indol-5-olCS-0857256G890343-(N,N-dimethylaminoethyl)-4-[3-(N,N-dimethylaminoethyl)indole-1-yl]-5-hydroxyindole
Molecular Weight
390.5 g/mol
Molecular Formula
C24H30N4O
Molecular Formula
C24H30N4O
Num Rotatable Bonds
7