| Phytochemical Name : Tubulosine |
| PCNDIDT0125 |
| Pubchem CID : 72341 |
| Molecular formula: C29H37N3O3 |
| Canonical SMILES : CCC1CN2CCC3=CC(=C(C=C3C2CC1CC4C5=C(CCN4)C6=C(N5)C=CC(=C6)O)OC)OC |
Synonymes : Tubulosine|Tubulosan-8'-ol, 10,11-dimethoxy-|2632-29-3|Marckine|CHEBI:9775|10,11-Dimethoxytubulosan-8'-ol|10,11-Dimethoxytubulosanol|112A6Z7SN5|NSC131547|NSC 131547|NSC-131547|C29H37N3O3|(1R)-1-[[(2S,3R,11bS)-3-Ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol|C29-H37-N3-O3|(1R)-1-(((2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-1H-PYRIDO(3,4-B)INDOL-6-OL|(1R)-1-[[(2S,3R,11bS)-3-Ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol|1H-PYRIDO(3,4-B)INDOL-6-OL, 1-(((2S,3R,11BS)-3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-, (1R)-|1H-Pyrido[3,4-b]indol-6-ol, 1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-, (1R)-|(-)-TUBULOSINE|NCIStruc1_001471|NCIStruc2_001820|UNII-112A6Z7SN5|CHEMBL518568|SCHEMBL1920742|Tubulosan-8'-ol,11-dimethoxy-|DTXSID701100319|BDBM50480281|NCI131547|(1R)-1-[[(2S,3R,11bS)-3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-6-ol|NCI60_000694|C09248|SR-02000000201-1|Q27108491|1H-PYRIDO(3,4-B)INDOL-6-OL, 1-((3-ETHYL-1,3,4,6,7,11B-HEXAHYDRO-9,10-DIMETHOXY-2H-BENZO(A)QUINOLIZIN-2-YL)METHYL)-2,3,4,9-TETRAHYDRO-, (2S-(2.ALPHA.(S*),3.BETA.,11B.BETA.))-|1H-Pyrido[3, 1-[[(2S,3R,11bS)-3-ethyl-1,3,4,6,7,11b-hexahydro- 9,10-dimethoxy-2H-benzo[a]quinolizin-2-yl]methyl]- 2,3,4,9-tetrahydro-, (1R)- |
| Structure | |
| 3D structure | 2D structure |
![]() |
| Log Po/w (iLOGP) : 3.920 |
| Log Po/w (XLOGP3) : 4.610 |
| Log Po/w (WLOGP) : 3.700 |
| Log Po/w (MLOGP) : 2.880 |
| Log Po/w (SILICOS-IT) : 4.890 |
| Consensus Log Po/w : 4.000 |

