Alkaloids

Trilobine

木防己碱

PHY-NP-10263 · Natural product research catalog

Catalog number	PHY-NP-10263
CAS number	6138-73-4
Molecular formula	C₃₅H₃₄N₂O₅
Molecular weight	562.666 g/mol
Chemical class	Alkaloids
Main reported source	Anisocycla cymosa
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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Trilobine is listed in the Alkaloids 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.

IUPAC name	(8S,21S)-13,27-dimethoxy-7-methyl-15,29,31-trioxa-7,22-diazaoctacyclo[19.9.3.216,19.14,30.110,14.03,8.025,33.028,32]heptatriaconta-1(30),2,4(34),10(37),11,13,16,18,25,27,32,35-dodecaene
SMILES	CN1CCC2=CC3=C4C=C2[C@@H]1CC5=CC(=C(C=C5)OC)OC6=CC=C(C[C@H]7C8=C(O4)C(=C(C=C8CCN7)OC)O3)C=C6
InChIKey	XZAXGQMTBGFTFE-SVBPBHIXSA-N
Subclass / scaffold	Tyrosine alkaloids：Isoquinoline alkaloids
PubChem CID	169007

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

View additional properties & classification

Ring count	9
Aromatic rings	4
Fraction Csp³	0.314
Synthetic accessibility score	5.89
QED score	0.251
Lipinski rule violations	2
NPClassifier pathway	Alkaloids
NPClassifier superclass	Tyrosine alkaloids
NPClassifier class	Isoquinoline alkaloids
Parent SMILES	COc1ccc2cc1Oc1ccc(cc1)C[C@@H]1NCCc3cc(OC)c4c(c31)Oc1cc3c(cc1O4)CCN(C)[C@H]3C2
Parent formula	C₃₅H₃₄N₂O₅
Parent molecular weight	562.666
Specified stereocenters	2
Unspecified stereocenters	0

Main reported source	Anisocycla cymosa
Reported source families	Menispermaceae; Cupressaceae

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

View occurrence records & references

LOTUS / Wikidata species	Anisocycla cymosa[2]; Pachygone ovata[2]; Anisocycla jollyana[1]; Cocculus hirsutus[1]; Cocculus laurifolius[1]; Cocculus pendulus[1]; Cryptomeria japonica[1]; Stephania erecta[1]; Stephania japonica[1]; Stephania pierrei[1]
All reported source families	Menispermaceae[9]; Cupressaceae[1]
LOTUS species records	10
LOTUS reference records	11
COCONUT occurrence records	Aglaia odorata; Anisocycla cymosa; Anisocycla grandidieri; Anisocycla jollyana; Artemisia palustris; Astragalus wootoni; Bombacopsis glabra; Breonia chinensis; Campylotropis hirtella; Caulerpa taxifolia; Cercidiphyllum japonicum; Ceropegia dichotoma; Chionographis japonica; Cocculus Laurifolius; Cocculus Sarmentosus; Cocculus hirsutus; Cocculus laurifolius; Cocculus pendulus; Cocculus sarmentosus; Cocculus trilobus; Crinum moorei; Crossopteryx febrifuga; Crotalaria candicans; Cryptomeria japonica; Cryptomeria japonica D.DON.; Cystoseira baccata; Dendrobium loddigesii; Diplocarpon mali; Distephanus angulifolius; Eclipta erecta
COCONUT organism records	75
COCONUT identifier	CNP0305231.1

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

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

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