Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
Click a node to open it in a new tab
Herb: 1Ingredient: 1Links: 1
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 11565
- Core Entity Id
- 16022
- Source Entity Count
- 1
- Preferred Name
- Arundarine
- Name En
- Pubchem Id
- 12990746
- Smiles Canonical
- CN1CCC2=C(C1)NC3=C2C(=C(C=C3)O)N4C=C(C5=CC=CC=C54)CCN(C)C
- Molecular Formula
- C24H28N4O
- Molecular Weight
- 388.5150
- Inchikey
- YWSNCWVMQPGFQY-UHFFFAOYSA-N
- Inchi
- InChI=1S/C24H28N4O/c1-26(2)12-10-16-14-28(21-7-5-4-6-17(16)21)24-22(29)9-8-19-23(24)18-11-13-27(3)15-20(18)25-19/h4-9,14,25,29H,10-13,15H2,1-3H3
- Isomeric Smiles
- CN1CCC2=C(C1)NC3=C2C(=C(C=C3)O)N4C=C(C5=CC=CC=C54)CCN(C)C
- Cas Id
- Ob Score
- Mol Logp
- 3.9094
- Num H Donors
- 2
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.5570
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Arundarine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Arundarine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
arundarine
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN017007HBIN017006HBIN017008
Npass
NPC21014
Tcmid
373113731237313
Pub Chem
12990746
Tcmbank
TCMBANKIN000363TCMBANKIN061315
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H28N4O/c1-26(2)12-10-16-14-28(21-7-5-4-6-17(16)21)24-22(29)9-8-19-23(24)18-11-13-27(3)15-20(18)25-19/h4-9,14,25,29H,10-13,15H2,1-3H3
Mol Wt
388.5150000000002
Smiles
CN1CCC2=C(C1)NC3=C2C(=C(C=C3)O)N4C=C(C5=CC=CC=C54)CCN(C)C
Mol Log P
3.909400000000002
In Ch Ikey
YWSNCWVMQPGFQY-UHFFFAOYSA-N
Num Hdonors
2
Drug Likeness
0.557
Num Hacceptors
4
Isomeric Smiles
CN1CCC2=C(C1)NC3=C2C(=C(C=C3)O)N4C=C(C5=CC=CC=C54)CCN(C)C
Canonical Smiles
CN1CCC2=C(C1)NC3=C2C(=C(C=C3)O)N4C=C(C5=CC=CC=C54)CCN(C)C
Molecular Weight
388.5 g/mol
Molecular Formula
C24H28N4O
Molecular Formula
C24H28N4O
Num Rotatable Bonds
4