ITCMDBv1
IngredientID 28369

Oleandrin

C32H48O9

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Relationship Network

Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.

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Herb: 2Ingredient: 1Meta-analysis: 1Reference: 3Target: 12Links: 18
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Record Fields

Scalar fields from the final ingredient record.

Ingredient Id
28369
Core Entity Id
34718
Source Entity Count
1
Preferred Name
Oleandrin
Name En
Pubchem Id
11541511
Smiles Canonical
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Molecular Formula
C32H48O9
Molecular Weight
576.7270
Inchikey
JLPDBLFIVFSOCC-XYXFTTADSA-N
Inchi
InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
Isomeric Smiles
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Cas Id
465-16-7
Ob Score
Mol Logp
3.6810
Num H Donors
2
Num H Acceptors
9
Num Rotatable Bonds
5
Drug Likeness
0.3730
Polar Surface Area
Molecular Volume
Alogp

Names

Preferred names, aliases, and source labels retained in the final schema.

Name
Oleandrin
Role
preferred
Source
HERB_v2
Preferred
Yes
Name
Oleandrin
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
Oleandrin
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
oleandrin
Role
preferred
Source
TCMBank
Preferred
Yes
Name
465-16-7
Role
alias
Source
HERB_v2
Preferred
No
Name
465-16-7
Role
alias
Source
itcmdb_public
Preferred
No
Name
Anvirzel
Role
alias
Source
HERB_v2
Preferred
No
Name
Anvirzel
Role
alias
Source
itcmdb_public
Preferred
No
Name
Corrigen
Role
alias
Source
HERB_v2
Preferred
No
Name
Corrigen
Role
alias
Source
itcmdb_public
Preferred
No
Name
Foliandrin
Role
alias
Source
HERB_v2
Preferred
No
Name
Foliandrin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Folinerin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Folinerin
Role
alias
Source
HERB_v2
Preferred
No
Name
Neriolin
Role
alias
Source
HERB_v2
Preferred
No
Name
Neriolin
Role
alias
Source
itcmdb_public
Preferred
No
Name
Neriostene
Role
alias
Source
HERB_v2
Preferred
No
Name
Neriostene
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oleandrina
Role
alias
Source
itcmdb_public
Preferred
No
Name
Oleandrina
Role
alias
Source
HERB_v2
Preferred
No
Name
Oleandrine
Role
alias
Source
HERB_v2
Preferred
No
Name
Oleandrine
Role
alias
Source
itcmdb_public
Preferred
No
Name
Beauwalloside
Role
preferred
Source
ETCM_v2
Preferred
Yes
Name
Nerifol
Role
preferred
Source
itcmdb_public
Preferred
Yes
Name
beauwalloside
Role
preferred
Source
TCMBank
Preferred
Yes
Name
((3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-16-yl) acetate
Role
alias
Source
itcmdb_public
Preferred
No
Name
31087-94-2
Role
alias
Source
itcmdb_public
Preferred
No
Name
Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXCID101474667
Role
alias
Source
HERB_v2
Preferred
No
Name
DTXSID601016478
Role
alias
Source
HERB_v2
Preferred
No
Name
SCHEMBL14633734
Role
alias
Source
HERB_v2
Preferred
No

Aliases

Additional names normalized into the restored final schema.

465-16-7AnvirzelCorrigenFoliandrinFolinerinNeriolinNeriosteneOleandrinaOleandrineBeauwallosideNerifol((3S,5R,8R,9S,10S,13R,14S,16S,17R)-14-hydroxy-3-((2R,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta(a)phenanthren-16-yl) acetate31087-94-2Card-20(22)-enolide, 16-(acetyloxy)-3-((2,6-dideoxy-3-O-methyl-alpha-L-ribo-hexopyranosyl)oxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-DTXCID101474667DTXSID601016478SCHEMBL14633734

Cross References

Trusted external identifiers retained for this final record.

Cas
465-16-7
Herb
HBIN037934HBIN017673HBIN036786
Npass
NPC107041
Tcmid
16021219036682
Tcm Id
13381133821338315408160811689616897168981857518576185772045621302346723468217406409
Pub Chem
115415111377952975684109971224593
Tcmbank
TCMBANKIN000105TCMBANKIN016724TCMBANKIN060283
Etcm Ingredient
OleandrinBeauwalloside
Itcmdb Generated
ITX-INGREDIENT-12F78EB7CB0DITX-INGREDIENT-3C760A41D45C

Attributes

Merged source attributes and domain-specific metadata.

In Ch I
InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
Mol Wt
576.7270000000004
Cas Id
465-16-7
Smiles
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Mol Log P
3.681000000000003
In Ch Ikey
JLPDBLFIVFSOCC-XYXFTTADSA-N
Num Hdonors
2
Drug Likeness
0.373
Num Hacceptors
9
Isomeric Smiles
C[C@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(C[C@@H]([C@@H]5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Canonical Smiles
CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)OC)O
Herb Alias Names
465-16-7FoliandrinNeriolinFolinerinNeriosteneOleandrinaAnvirzelCorrigenOleandrine
Molecular Weight
576.330
Molecular Weight
576.72
Molecular Formula
C32H48O9
Molecular Formula
C32H48O9
Molecular Formula
C32H48O9
Num Rotatable Bonds
5
Fda Maximum Daily Dose (Fdamdd)
0.963
Quantitative Estimate Of Drug Likeness（Qed）
0.339