Grossularine 2
AlkaPlorer ID: AK007354
Synonym: None
IUPAC Name: [4-(dimethylamino)-3,5,8,10-tetrazatetracyclo[7.7.0.02,6.011,16]hexadeca-1,3,6,8,11,13,15-heptaen-7-yl]-(4-hydroxyphenyl)methanone
Structure
SMILES: CN(C)C1=NC2=C3C(=NC4=CC=CC=C34)NC(C(=O)C3=CC=C(O)C=C3)=C2N1
InChI: InChI=1S/C21H17N5O2/c1-26(2)21-24-16-15-13-5-3-4-6-14(13)22-20(15)23-18(17(16)25-21)19(28)11-7-9-12(27)10-8-11/h3-10,27H,1-2H3,(H,22,23)(H,24,25)
InChIKey: OGSOWFWOXWWJSA-UHFFFAOYSA-N
Reference
Grossularine-1 and grossularine-2, cytotoxic α-carbolines from the tunicate: Dendrodoa grossularia
PubChem CID: 5324327
CAS: 102488-58-4
LOTUS: LTS0058459
COCONUT: CNP0215632
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Dendrodoa grossularia | Dendrodoa | Styelidae | Stolidobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 371.4000000000001
TPSA？: 97.9
MolLogP？: 3.546600000000001
Number of H-Donors: 3
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|