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
- 23858
- Core Entity Id
- 29703
- Source Entity Count
- 1
- Preferred Name
- Kopsifoline d
- Name En
- Pubchem Id
- 101733512
- Smiles Canonical
- COC(=O)C12CC3(C1)C=CCN4C3C5(C2=NC6=CC=CC=C65)CC4
- Molecular Formula
- C20H20N2O2
- Molecular Weight
- 320.3920
- Inchikey
- FHPMIUVZUHCUPX-ACAXCVFMSA-N
- Inchi
- InChI=1S/C20H20N2O2/c1-24-17(23)19-11-18(12-19)7-4-9-22-10-8-20(16(18)22)13-5-2-3-6-14(13)21-15(19)20/h2-7,16H,8-12H2,1H3/t16-,18?,19?,20-/m0/s1
- Isomeric Smiles
- COC(=O)C12CC3(C1)C=CCN4[C@@H]3[C@@]5(C2=NC6=CC=CC=C65)CC4
- Cas Id
- Ob Score
- Mol Logp
- 2.6078
- Num H Donors
- 0
- Num H Acceptors
- 4
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.5900
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Kopsifoline D
Role
preferred
Source
TCMBank
Preferred
Yes
Name
Kopsifoline d
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Kopsifoline d
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
红花蕊木
Role
TCM_name
Source
TCMBank
Preferred
No
Name
HONG HUA RUI MU
Role
TCM_name2
Source
TCMBank
Preferred
No
Name
Redflower Kopsia
Role
TCM_name_en
Source
TCMBank
Preferred
No
Aliases
Additional names normalized into the restored final schema.
红花蕊木HONG HUA RUI MURedflower Kopsia
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN032249
Tcmid
12261
Pub Chem
101733512
Tcmbank
TCMBANKIN039004
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C20H20N2O2/c1-24-17(23)19-11-18(12-19)7-4-9-22-10-8-20(16(18)22)13-5-2-3-6-14(13)21-15(19)20/h2-7,16H,8-12H2,1H3/t16-,18?,19?,20-/m0/s1
Mol Wt
320.3920000000001
Mol Log P
2.607800000000001
In Ch Ikey
FHPMIUVZUHCUPX-ACAXCVFMSA-N
Tcm Name
红花蕊木
Tcm Name2
HONG HUA RUI MU
Mol2 Path
/TCM_database/2007_3d_all/12265.mol2
Reference
3830
Num Hdonors
0
Tcm Name En
Redflower Kopsia
Drug Likeness
0.59
Num Hacceptors
4
Isomeric Smiles
COC(=O)C12CC3(C1)C=CCN4[C@@H]3[C@@]5(C2=NC6=CC=CC=C65)CC4
Canonical Smiles
COC(=O)C12CC3(C1)C=CCN4C3C5(C2=NC6=CC=CC=C65)CC4
Molecular Weight
320.4 g/mol
Molecular Formula
C20H20N2O2
Num Rotatable Bonds
1