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name Structure Reference Source Properties Activities Metabolism

(12S)-18-methoxy-11-[(12S)-4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.0²,¹⁰.0³,⁷.0¹⁶,²³.0¹⁸,²²]tricosa-1(23),2(10),3(7),8,16,18(22)-hexaene-13-carbonyl]-3,5-dioxa-11-azapentacyclo[10.7.1.0²,⁶.0⁸,²⁰.0¹⁴,¹⁹]icosa-1(20),2(6),7,14(19),15,17-hexaen-17-ol

AlkaPlorer ID: AK066435

Synonym: None

IUPAC Name: [(12S)-17-hydroxy-18-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-11-yl]-[(12S)-4,6,19,21-tetraoxa-13-azahexacyclo[10.10.1.02,10.03,7.016,23.018,22]tricosa-1(23),2(10),3(7),8,16,18(22)-hexaen-13-yl]methanone

Structure

SMILES: COC1=C(O)C=CC2=C1C1=C3OCOC3=CC3=C1[C@H](C2)N(C(=O)N1CCC2=CC4=C(OCO4)C4=C2[C@@H]1CC1=CC=C2OCOC2=C14)CC3

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InChI: InChI=1S/C37H30N2O9/c1-42-33-23(40)4-2-17-10-21-27-19(12-25-35(47-15-44-25)31(27)29(17)33)6-8-38(21)37(41)39-9-7-20-13-26-36(48-16-45-26)32-28(20)22(39)11-18-3-5-24-34(30(18)32)46-14-43-24/h2-5,12-13,21-22,40H,6-11,14-16H2,1H3/t21-,22-/m0/s1

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InChIKey: GTBMZVZPTWKFDK-VXKWHMMOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Hernandia nymphaeifolia Hernandia Hernandiaceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 646.6520000000002

TPSA？: 108.39

MolLogP？: 5.651700000000005

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 11

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information