Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 4Ingredient: 1Links: 4
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 14065
- Core Entity Id
- 18802
- Source Entity Count
- 1
- Preferred Name
- Cephalotaxine
- Name En
- Pubchem Id
- 138107852
- Smiles Canonical
- COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5
- Molecular Formula
- C18H21NO4
- Molecular Weight
- 315.3690
- Inchikey
- YMNCVRSYJBNGLD-KURKYZTESA-N
- Inchi
- InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1
- Isomeric Smiles
- COC1=C[C@]23CCCN2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5
- Cas Id
- Ob Score
- Mol Logp
- 1.7944
- Num H Donors
- 1
- Num H Acceptors
- 5
- Num Rotatable Bonds
- 1
- Drug Likeness
- 0.8560
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cephalotaxine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Cephalotaxine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Cephalotaxine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
cephalotaxine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
(-)-Cephalotaxine
Role
alias
Source
itcmdb_public
Preferred
No
Name
(-)-Cephalotaxine
Role
alias
Source
HERB_v2
Preferred
No
Name
24316-19-6
Role
alias
Source
itcmdb_public
Preferred
No
Name
24316-19-6
Role
alias
Source
HERB_v2
Preferred
No
Name
84MI6OYN4Z
Role
alias
Source
itcmdb_public
Preferred
No
Name
84MI6OYN4Z
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:3540
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:3540
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cephalotaxlen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Cephalotaxlen
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 128487
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 128487
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC 245454
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC 245454
Role
alias
Source
HERB_v2
Preferred
No
Name
Omacetaxine
Role
alias
Source
HERB_v2
Preferred
No
Name
Omacetaxine
Role
alias
Source
itcmdb_public
Preferred
No
Name
UNII-84MI6OYN4Z
Role
alias
Source
HERB_v2
Preferred
No
Name
UNII-84MI6OYN4Z
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
(-)-Cephalotaxine24316-19-684MI6OYN4ZCHEBI:3540CephalotaxlenNSC 128487NSC 245454OmacetaxineUNII-84MI6OYN4Z
Cross References
Trusted external identifiers retained for this final record.
Herb
HBIN020112
Tcmid
3404
Tcm Id
245565818
Pub Chem
13810785265305
Tcmbank
TCMBANKIN017314
Etcm Ingredient
Cephalotaxine
Itcmdb Generated
ITX-INGREDIENT-B7A99EFCD9A2
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C18H21NO4/c1-21-15-9-18-4-2-5-19(18)6-3-11-7-13-14(23-10-22-13)8-12(11)16(18)17(15)20/h7-9,16-17,20H,2-6,10H2,1H3/t16-,17-,18+/m1/s1
Mol Wt
315.3690000000001
Smiles
COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5
Mol Log P
1.7944
In Ch Ikey
YMNCVRSYJBNGLD-KURKYZTESA-N
Num Hdonors
1
Drug Likeness
0.856
Num Hacceptors
5
Isomeric Smiles
COC1=C[C@]23CCCN2CCC4=CC5=C(C=C4[C@@H]3[C@@H]1O)OCO5
Canonical Smiles
COC1=CC23CCCN2CCC4=CC5=C(C=C4C3C1O)OCO5
Herb Alias Names
24316-19-6(-)-CephalotaxineOmacetaxineCephalotaxlenCHEBI:3540UNII-84MI6OYN4Z84MI6OYN4ZNSC 128487NSC 245454
Molecular Weight
315.150
Molecular Weight
315.4 g/mol
Molecular Formula
C18H21NO4
Molecular Formula
C18H21NO4
Molecular Formula
C18H21NO4
Num Rotatable Bonds
1
Fda Maximum Daily Dose (Fdamdd)
0.929
Quantitative Estimate Of Drug Likeness（Qed）
0.856