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
- 38519
- Core Entity Id
- 65498
- Source Entity Count
- 1
- Preferred Name
- 14-debenzoylfranchetine
- Name En
- Pubchem Id
- 24893375
- Smiles Canonical
- CCN1CC2(CCC(C34C2CC(=C5CC(C6CC3C5C6O)OC)OC41)OC)COC
- Molecular Formula
- C24H37NO5
- Molecular Weight
- 419.5620
- Inchikey
- CXNGUMABGNFTGU-MXQMVKHUSA-N
- Inchi
- InChI=1S/C24H37NO5/c1-5-25-11-23(12-27-2)7-6-19(29-4)24-15-8-14-16(28-3)9-13(20(15)21(14)26)17(10-18(23)24)30-22(24)25/h14-16,18-22,26H,5-12H2,1-4H3/t14?,15?,16-,18?,19?,20?,21?,22?,23-,24?/m0/s1
- Isomeric Smiles
- CCN1C[C@@]2(CCC(C34C2CC(=C5C[C@@H](C6CC3C5C6O)OC)OC41)OC)COC
- Cas Id
- Ob Score
- Mol Logp
- 2.4121
- Num H Donors
- 1
- Num H Acceptors
- 6
- Num Rotatable Bonds
- 5
- Drug Likeness
- 0.7390
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
14-debenzoylfranchetine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
14-debenzoylfranchetine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
14-debenzoylfranchetine
Role
preferred
Source
HERB_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN001401
Npass
NPC52228
Tcmid
4805
Pub Chem
24893375
Tcmbank
TCMBANKIN041522
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C24H37NO5/c1-5-25-11-23(12-27-2)7-6-19(29-4)24-15-8-14-16(28-3)9-13(20(15)21(14)26)17(10-18(23)24)30-22(24)25/h14-16,18-22,26H,5-12H2,1-4H3/t14?,15?,16-,18?,19?,20?,21?,22?,23-,24?/m0/s1
Mol Wt
419.5620000000002
Smiles
CCN1CC2(CCC(C34C2CC(=C5CC(C6CC3C5C6O)OC)OC41)OC)COC
Mol Log P
2.412100000000001
In Ch Ikey
CXNGUMABGNFTGU-MXQMVKHUSA-N
Mol2 Path
/TCM_database/2007_3d_all/04806.mol2
Reference
2191
Num Hdonors
1
Drug Likeness
0.739
Num Hacceptors
6
Isomeric Smiles
CCN1C[C@@]2(CCC(C34C2CC(=C5C[C@@H](C6CC3C5C6O)OC)OC41)OC)COC
Canonical Smiles
CCN1CC2(CCC(C34C2CC(=C5CC(C6CC3C5C6O)OC)OC41)OC)COC
Molecular Formula
C24H37NO5
Molecular Formula
C24H37NO5
Num Rotatable Bonds
5