Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Herb: 7Ingredient: 1Reference: 1Links: 8
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 21037
- Core Entity Id
- 26568
- Source Entity Count
- 1
- Preferred Name
- Harringtonine
- Name En
- Pubchem Id
- 134694858
- Smiles Canonical
- CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O
- Molecular Formula
- C28H37NO9
- Molecular Weight
- 531.6020
- Inchikey
- HAVJATCHLFRDHY-KSZYUSJVSA-N
- Inchi
- InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1
- Isomeric Smiles
- CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O
- Cas Id
- 26833-85-2
- Ob Score
- Mol Logp
- 2.1906
- Num H Donors
- 2
- Num H Acceptors
- 10
- Num Rotatable Bonds
- 8
- Drug Likeness
- 0.4830
- Polar Surface Area
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Harringtonine
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Harringtonine
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Harringtonine
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
harringtonine
Role
preferred
Source
TCMBank
Preferred
Yes
Name
088662H40F
Role
alias
Source
HERB_v2
Preferred
No
Name
088662H40F
Role
alias
Source
itcmdb_public
Preferred
No
Name
2'R-Harringtonine
Role
alias
Source
HERB_v2
Preferred
No
Name
2'R-Harringtonine
Role
alias
Source
itcmdb_public
Preferred
No
Name
26833-85-2
Role
alias
Source
HERB_v2
Preferred
No
Name
26833-85-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alkaloid C from cephalotaxus
Role
alias
Source
itcmdb_public
Preferred
No
Name
Alkaloid C from cephalotaxus
Role
alias
Source
HERB_v2
Preferred
No
Name
CHEBI:5626
Role
alias
Source
itcmdb_public
Preferred
No
Name
CHEBI:5626
Role
alias
Source
HERB_v2
Preferred
No
Name
Harringtonin
Role
alias
Source
HERB_v2
Preferred
No
Name
Harringtonin
Role
alias
Source
itcmdb_public
Preferred
No
Name
NSC-124147
Role
alias
Source
HERB_v2
Preferred
No
Name
NSC124147
Role
alias
Source
itcmdb_public
Preferred
No
Aliases
Additional names normalized into the restored final schema.
088662H40F2'R-Harringtonine26833-85-2Alkaloid C from cephalotaxusCHEBI:5626HarringtoninNSC-124147NSC124147
Cross References
Trusted external identifiers retained for this final record.
Cas
26833-85-2
Herb
HBIN028814
Tcmid
9238
Tcm Id
228463854
Pub Chem
134694858276389
Tcmbank
TCMBANKIN008609
Etcm Ingredient
Harringtonine
Itcmdb Generated
ITX-INGREDIENT-0554481573CC
Attributes
Merged source attributes and domain-specific metadata.
In Ch I
InChI=1S/C28H37NO9/c1-26(2,32)8-9-28(33,15-22(30)35-4)25(31)38-24-21(34-3)14-27-7-5-10-29(27)11-6-17-12-19-20(37-16-36-19)13-18(17)23(24)27/h12-14,23-24,32-33H,5-11,15-16H2,1-4H3/t23-,24-,27+,28-/m1/s1
Mol Wt
531.6020000000005
Cas Id
26833-85-2
Smiles
CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O
Mol Log P
2.190600000000001
In Ch Ikey
HAVJATCHLFRDHY-KSZYUSJVSA-N
Num Hdonors
2
Drug Likeness
0.483
Num Hacceptors
10
Isomeric Smiles
CC(C)(CC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)O
Canonical Smiles
CC(C)(CCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)O
Herb Alias Names
Harringtonin26833-85-22'R-HarringtonineNSC-124147CHEBI:5626NSC124147Alkaloid C from cephalotaxus088662H40FNSC 124147
Molecular Weight
531.250
Molecular Weight
531.59
Molecular Formula
C28H37NO9
Molecular Formula
C28H37NO9
Molecular Formula
C28H37NO9
Num Rotatable Bonds
8
Fda Maximum Daily Dose (Fdamdd)
0.952
Quantitative Estimate Of Drug Likeness（Qed）
0.483