PlantaeDB Logo
Login Sign-up

Heronamide D

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

Top
Internal ID 113f908b-2ff5-4ddb-9325-f86c3cd2cf83
Taxonomy Organoheterocyclic compounds > Pyrrolizidines > Pyrrolizidinones
IUPAC Name (1S,2E,4R,7R,8S,9S,10E,12Z,14S,17R,19S,20R)-17-hexa-2,4-dienyl-7,8,19-trihydroxy-2,10-dimethyl-16-azatetracyclo[12.6.0.04,9.016,20]icosa-2,5,10,12-tetraen-15-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C27H35NO4/c1-4-5-6-7-10-19-15-22(30)25-24-17(3)14-18-12-13-21(29)26(31)23(18)16(2)9-8-11-20(24)27(32)28(19)25/h4-9,11-14,18-26,29-31H,10,15H2,1-3H3/b5-4?,7-6?,11-8-,16-9+,17-14+/t18-,19-,20+,21-,22+,23-,24-,25+,26-/m1/s1
InChI Key HFNMIOGEGCXSJX-AZMABVKQSA-N
Popularity 2 references in papers

Physical and Chemical Properties

Top
Molecular Formula C27H35NO4
Molecular Weight 437.60 g/mol
Exact Mass 437.25660860 g/mol
Topological Polar Surface Area (TPSA) 81.00 Ų
XlogP 2.50

Synonyms

Top
(1S,2E,4R,7R,8S,9S,10E,12Z,14S,17R,19S,20R)-17-hexa-2,4-dienyl-7,8,19-trihydroxy-2,10-dimethyl-16-azatetracyclo(12.6.0.04,9.016,20)icosa-2,5,10,12-tetraen-15-one
(1S,2E,4R,7R,8S,9S,10E,12Z,14S,17R,19S,20R)-17-hexa-2,4-dienyl-7,8,19-trihydroxy-2,10-dimethyl-16-azatetracyclo[12.6.0.04,9.016,20]icosa-2,5,10,12-tetraen-15-one
RefChem:145807
(1S,2E,4R,7R,8S,9S,10E,12Z,14S,17R,19S,20R)-17-((2E,4E)-hexa-2,4-dienyl)-7,8,19-trihydroxy-2,10-dimethyl-16-azatetracyclo(12.6.0.04,9.016,20)icosa-2,5,10,12-tetraen-15-one
CHEBI:219930

2D Structure

Top
2D Structure of Heronamide D

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL4040 P28482 MAP kinase ERK2 99.76% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.63% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.04% 95.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 90.30% 93.40%
CHEMBL2581 P07339 Cathepsin D 88.80% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.66% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 86.51% 97.09%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 84.97% 93.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.14% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 83.20% 94.73%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 82.48% 99.23%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 82.37% 96.77%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.45% 89.62%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.91% 95.89%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 80.83% 85.14%

Plants that contains it

Top
Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

Top
PubChem 139586314
LOTUS LTS0128662
wikiData Q77503910