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: 1Target: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 15855
- Core Entity Id
- 20791
- Source Entity Count
- 1
- Preferred Name
- Cycloprotobuxine c1
- Name En
- Pubchem Id
- 10001751
- Smiles Canonical
- CC(C1CCC2(C1(CCC34C2C=CC5C3(C4)CCC(C5(C)C)N(C)C)C)C)N(C)C
- Molecular Formula
- C28H48N2
- Molecular Weight
- 412.7060
- Inchikey
- RJBBOSXUQGUNDD-AENRXNTRSA-N
- Inchi
- InChI=1S/C28H48N2/c1-19(29(6)7)20-12-14-26(5)22-11-10-21-24(2,3)23(30(8)9)13-15-27(21)18-28(22,27)17-16-25(20,26)4/h10-11,19-23H,12-18H2,1-9H3/t19-,20+,21-,22-,23-,25+,26-,27+,28-/m0/s1
- Isomeric Smiles
- C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C)N(C)C
- Cas Id
- Ob Score
- Mol Logp
- 6.0818
- Num H Donors
- 0
- Num H Acceptors
- 2
- Num Rotatable Bonds
- 3
- Drug Likeness
- 0.5180
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cycloprotobuxine C1
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Cycloprotobuxine C1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cycloprotobuxine c1
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cycloprotobuxine c1
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
多乳头黄杨
Role
TCM_name
Source
TCMBank
Preferred
No
Name
DUO RU TOU HUANG YANG
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Papillose Box*
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
多乳头黄杨DUO RU TOU HUANG YANGPapillose Box*
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN022357
Tcmid
4531
Pub Chem
10001751
Tcmbank
TCMBANKIN037712
Etcm Ingredient
Cycloprotobuxine C1
Itcmdb Generated
ITX-INGREDIENT-11E3ACC6466B
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H48N2/c1-19(29(6)7)20-12-14-26(5)22-11-10-21-24(2,3)23(30(8)9)13-15-27(21)18-28(22,27)17-16-25(20,26)4/h10-11,19-23H,12-18H2,1-9H3/t19-,20+,21-,22-,23-,25+,26-,27+,28-/m0/s1
Mol Wt
412.7060000000002
Mol Log P
6.081800000000007
In Ch Ikey
RJBBOSXUQGUNDD-AENRXNTRSA-N
Tcm Name
多乳头黄杨
Tcm Name2
DUO RU TOU HUANG YANG
Mol2 Path
/TCM_database/2007_3d_all/04532.mol2
Reference
5216
Num Hdonors
0
Tcm Name En
Papillose Box*
Drug Likeness
0.518
Num Hacceptors
2
Isomeric Smiles
C[C@@H]([C@H]1CC[C@@]2([C@@]1(CC[C@]34[C@H]2C=C[C@@H]5[C@]3(C4)CC[C@@H](C5(C)C)N(C)C)C)C)N(C)C
Canonical Smiles
CC(C1CCC2(C1(CCC34C2C=CC5C3(C4)CCC(C5(C)C)N(C)C)C)C)N(C)C
Molecular Weight
412.380
Molecular Formula
C28H48N2
Molecular Formula
C28H48N2
Num Rotatable Bonds
3
Fda Maximum Daily Dose (Fdamdd)
0.709
Quantitative Estimate Of Drug Likeness（Qed）
0.518