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
- 34237
- Core Entity Id
- 41251
- Source Entity Count
- 1
- Preferred Name
- Sutchuenensine
- Name En
- Pubchem Id
- 5321566
- Smiles Canonical
- CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(O3)C=C7)OC)N(CCC6=CC(=C5OC)OC)C)OC
- Molecular Formula
- C38H42N2O6
- Molecular Weight
- 622.7620
- Inchikey
- KHGZQWZWPVXXTQ-UHFFFAOYSA-N
- Inchi
- InChI=1S/C38H42N2O6/c1-39-15-13-25-20-33(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(43-5)37(38)44-6)14-16-40(2)30(36)18-24-9-12-31(46-34)32(19-24)41-3/h7-12,19-22,29-30H,13-18H2,1-6H3
- Isomeric Smiles
- CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(O3)C=C7)OC)N(CCC6=CC(=C5OC)OC)C)OC
- Cas Id
- Ob Score
- Mol Logp
- 7.1624
- Num H Donors
- 0
- Num H Acceptors
- 8
- Num Rotatable Bonds
- 4
- Drug Likeness
- 0.2380
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Sutchuenensine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Sutchuenensine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Sutchuenensine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
轮环藤
Role
TCM_name
Source
TCMBank
Preferred
No
Name
LUN HUAN TENG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Racemose Cyclea
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
轮环藤LUN HUAN TENGRacemose Cyclea
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN045165
Npass
NPC108591
Tcmid
20482
Pub Chem
5321566
Tcmbank
TCMBANKIN046046
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C38H42N2O6/c1-39-15-13-25-20-33(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-38-36-26(21-35(43-5)37(38)44-6)14-16-40(2)30(36)18-24-9-12-31(46-34)32(19-24)41-3/h7-12,19-22,29-30H,13-18H2,1-6H3
Mol Wt
622.7620000000003
Mol Log P
7.16240000000001
In Ch Ikey
KHGZQWZWPVXXTQ-UHFFFAOYSA-N
Tcm Name
轮环藤
Tcm Name2
LUN HUAN TENG
Mol2 Path
/TCM_database/2007_3d_all/20498.mol2
Reference
274
Num Hdonors
0
Tcm Name En
Racemose Cyclea
Drug Likeness
0.238
Num Hacceptors
8
Isomeric Smiles
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(O3)C=C7)OC)N(CCC6=CC(=C5OC)OC)C)OC
Canonical Smiles
CN1CCC2=CC(=C3C=C2C1CC4=CC=C(C=C4)OC5=C6C(CC7=CC(=C(O3)C=C7)OC)N(CCC6=CC(=C5OC)OC)C)OC
Molecular Formula
C38H42N2O6
Num Rotatable Bonds
4