CID 102424800

Details

• Internal ID: 3fc8182e-a714-4e94-8471-88edf102946d
• Taxonomy: Lipids and lipid-like molecules > Steroids and steroid derivatives
• IUPAC Name: (3R,4S,4aS,6aR,6bS,14aR,14bR)-4-(hydroxymethyl)-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,14,14a-decahydropicen-3-ol
• InChI: InChI=1S/C29H42O2/c1-18-7-8-20-11-15-28(5)21(25(20)19(18)2)9-10-23-26(3)14-13-24(31)27(4,17-30)22(26)12-16-29(23,28)6/h7-9,22-24,30-31H,10-17H2,1-6H3/t22-,23+,24+,26-,27+,28+,29+/m0/s1
• InChI Key: NOMDWAAODUIOPI-VDIFRLFBSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₉H₄₂O₂
• Molecular Weight: 422.60 g/mol
• Exact Mass: 422.318480578 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 7.30

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	95.45%	91.79%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.15%	91.11%
CHEMBL1994	P08235	Mineralocorticoid receptor	89.89%	100.00%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	89.32%	89.05%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.08%	95.89%
CHEMBL3137262	O60341	LSD1/CoREST complex	88.76%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.04%	95.56%
CHEMBL1871	P10275	Androgen Receptor	83.73%	96.43%
CHEMBL2581	P07339	Cathepsin D	83.49%	98.95%
CHEMBL3192	Q9BY41	Histone deacetylase 8	82.10%	93.99%
CHEMBL5028	O14672	ADAM10	81.91%	97.50%

Plants that contains it

• Diospyros kaki

Cross-Links

• PubChem: 102424800
• LOTUS: LTS0222365
• wikiData: Q105182642