Summary

IMPPAT Phytochemical identifier: IMPHY014456

Phytochemical name: 10-Hydroxystrictosamide

Synonymous chemical names:
10-hydroxystrictosamide

External chemical identifiers:
CID:70675008, ChEMBL:CHEMBL4450691, ZINC:ZINC000205603046

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Chemical structure information

SMILES:
C=C[C@H]1[C@@H](OC=C2[C@H]1C[C@@H]1N(C2=O)CCc2c1[nH]c1c2cc(cc1)O)O[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O

InChI:
InChI=1S/C26H30N2O9/c1-2-12-14-8-18-20-13(15-7-11(30)3-4-17(15)27-20)5-6-28(18)24(34)16(14)10-35-25(12)37-26-23(33)22(32)21(31)19(9-29)36-26/h2-4,7,10,12,14,18-19,21-23,25-27,29-33H,1,5-6,8-9H2/t12-,14+,18+,19-,21-,22+,23-,25+,26+/m1/s1

InChIKey:
ZDYTVCFDZWEYRR-KDLXYAJASA-N

DeepSMILES:
C=C[C@H][C@@H]OC=C[C@H]6C[C@@H]NC6=O))CCcc6[nH]cc5cccc6))O)))))))))))))))))O[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O

Functional groups:
C=CC, CN(C)C(=O)C1=CO[C@@H](O[C@@H](C)OC)CC1, CO, cO, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C2=COC(OC3CCCCO3)CC2CC2c3[nH]c4ccccc4c3CCN12

Scaffold Graph/Node level:
OC1C2COC(OC3CCCCO3)CC2CC2C3NC4CCCCC4C3CCN12

Scaffold Graph level:
CC1C2CCC(CC3CCCCC3)CC2CC2C1CCC1C3CCCCC3CC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indoles and derivatives

ClassyFire Subclass: Pyridoindoles

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids

NP-Likeness score: 2.293

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Chemical structure download