Delgramine

AlkaPlorer ID: AK379592

Synonym: None

IUPAC Name: (2,6,10,19-tetrahydroxy-5-methyl-12-methylidene-7-azaheptacyclo[9.6.2.01,8.05,17.07,16.09,14.014,18]nonadecan-3-yl) benzoate

Structure

SMILES: C=C1CC23CC4C5C6(C)CC(OC(=O)C7=CC=CC=C7)C(O)C57C(C2C(O)C1C(O)C37)N4C6O

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InChI: InChI=1S/C27H31NO6/c1-11-8-26-9-13-19-25(2)10-14(34-23(32)12-6-4-3-5-7-12)22(31)27(19)20(26)18(30)15(11)17(29)16(26)21(27)28(13)24(25)33/h3-7,13-22,24,29-31,33H,1,8-10H2,2H3

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InChIKey: FOIIZKLTJIQQGX-UHFFFAOYSA-N

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Reference

None

PubChem CID: 163104022

CAS: 152434-56-5

LOTUS: LTS0030117

COCONUT: CNP0424321.1

Source

Properties Information

Molecule Weight: 465.5460000000001

TPSA: 110.46

MolLogP: 0.9178999999999996

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 10

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information