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: 3Ingredient: 1Links: 3
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14064
- Core Entity Id
- 18801
- Source Entity Count
- 1
- Preferred Name
- Cephalotaxinamide
- Name En
- Pubchem Id
- 11461634
- Smiles Canonical
- COC1=CC23CCC(=O)N2CCC4=CC5=C(C=C4C3C1O)OCO5
- Molecular Formula
- C18H19NO5
- Molecular Weight
- 329.3520
- Inchikey
- WLFMEQAKLOQAMK-KURKYZTESA-N
- Inchi
- InChI=1S/C18H19NO5/c1-22-14-8-18-4-2-15(20)19(18)5-3-10-6-12-13(24-9-23-12)7-11(10)16(18)17(14)21/h6-8,16-17,21H,2-5,9H2,1H3/t16-,17-,18+/m1/s1
- Isomeric Smiles
- COC1=C[C@]23CCC(=O)N2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5
- Cas Id
- Ob Score
- Mol Logp
- 1.3210
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8420
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cephalotaxinamide
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cephalotaxinamide
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Cephalotaxinamide
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
cephalotaxinamide
Role
preferred
Source
TCMBank
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020111
Npass
NPC16647
Tcmid
3403
Pub Chem
11461634
Tcmbank
TCMBANKIN004169
Etcm Ingredient
Cephalotaxinamide
Itcmdb Generated
ITX-INGREDIENT-00B722470DF9
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H19NO5/c1-22-14-8-18-4-2-15(20)19(18)5-3-10-6-12-13(24-9-23-12)7-11(10)16(18)17(14)21/h6-8,16-17,21H,2-5,9H2,1H3/t16-,17-,18+/m1/s1
Mol Wt
329.352
Smiles
COC1=CC23CCC(=O)N2CCC4=CC5=C(C=C4C3C1O)OCO5
Mol Log P
1.321
In Ch Ikey
WLFMEQAKLOQAMK-KURKYZTESA-N
Num Hdonors
1
Drug Likeness
0.842
Num Hacceptors
5
Isomeric Smiles
COC1=C[C@]23CCC(=O)N2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5
Canonical Smiles
COC1=CC23CCC(=O)N2CCC4=CC5=C(C=C4C3C1O)OCO5
Molecular Weight
329.130
Molecular Formula
C18H19NO5
Molecular Formula
C18H19NO5
Molecular Formula
C18H19NO5
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.952
Quantitative Estimate Of Drug Likeness（Qed）
0.842