Meroterpenoids

Monohydroxyisoaflavinine

PHY-NP-06364 · Natural product research catalog

Catalog number	PHY-NP-06364
CAS number	116865-09-9
Molecular formula	C₂₈H₃₉NO₂
Molecular weight	421.625 g/mol
Chemical class	Meroterpenoids
Main reported source	Aspergillus flavus
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Pack	Price (USD)	Availability	Lead time
5 mg	Request quote	To be confirmed	Confirm in quotation
10 mg	Request quote	To be confirmed	Confirm in quotation
20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Product information

Monohydroxyisoaflavinine is listed in the Meroterpenoids section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

Names & identifiers

IUPAC name	8-(1H-indol-3-yl)-4,4a,7-trimethyl-9-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,8,9,10,11-dodecahydrobenzo[d]naphthalene-1,5-diol
SMILES	CC1CCC(C23C1(C(CC(C2C(C(CC3)C(=C)C)C4=CNC5=CC=CC=C54)C)O)C)O
InChIKey	KHMAONVROPNUDX-UHFFFAOYSA-N
Subclass / scaffold	Miscellaneous meroterpenoids
PubChem CID	14188979

Computed properties

Exact mass (Da)	421.2981	Predicted LogP	6.038
Predicted TPSA (Å²)	56.25	H-bond donors	3
H-bond acceptors	2	Rotatable bonds	2

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	5
Aromatic rings	2
Fraction Csp³	0.643
Synthetic accessibility score	5.27
QED score	0.518
Lipinski rule violations	1
NPClassifier pathway	Terpenoids
NPClassifier superclass	Meroterpenoids
NPClassifier class	Miscellaneous meroterpenoids
Parent SMILES	C=C(C)C1CCC23C(O)CCC(C)C2(C)C(O)CC(C)C3C1c1c[nH]c2ccccc12
Parent formula	C₂₈H₃₉NO₂
Parent molecular weight	421.625
Specified stereocenters	0
Unspecified stereocenters	9

Reported natural occurrence

Main reported source	Aspergillus flavus
Reported source families	Aspergillaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Aspergillus flavus[1]
All reported source families	Aspergillaceae[1]
LOTUS species records	1
LOTUS reference records	1
COCONUT occurrence records	Aspergillus leporis
COCONUT organism records	1
COCONUT identifier	CNP0188966.6

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Documents & specifications

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

Request applicable documentation and handling information before ordering or use.