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Holyrine B

AlkaPlorer ID: AK006764

Synonym: None

IUPAC Name: 3-[(2R,4R,5R)-4-amino-5,6-dihydroxy-6-methyloxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one

Structure

SMILES: CC1(O)O[C@@H](N2C3=CC=CC=C3C3=C2C2=C(C4=C3C(O)=NC4)C3=CC=CC=C3N2)C[C@@H](N)[C@H]1O

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InChI: InChI=1S/C26H24N4O4/c1-26(33)24(31)15(27)10-18(34-26)30-17-9-5-3-7-13(17)20-21-14(11-28-25(21)32)19-12-6-2-4-8-16(12)29-22(19)23(20)30/h2-9,15,18,24,29,31,33H,10-11,27H2,1H3,(H,28,32)/t15-,18-,24-,26?/m1/s1

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InChIKey: LPTYIIOZCJOTKS-FNMALOSOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Actinomyces sp. Actinomyces Actinomycetaceae Actinomycetales Actinomycetes Actinomycetota None Bacteria

Properties Information

Molecule Weight: 456.5020000000001

TPSA？: 129.02

MolLogP？: 3.5628000000000024

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT006925 CC1(O)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O>>C[C@]12O[C@H](C[C@@H](N)[C@H]1O)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O RXN-10930
AKRT013086 C[C@@H]1O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O>>CC1(O)O[C@@H](n2c3ccccc3c3c4c(c5c6ccccc6[nH]c5c32)CNC4=O)C[C@@H](N)[C@H]1O RXN-10932