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Molecule Identifiers
Molecular Properties

ID: 73522

SMILES:
C(CCCCCc1cc2c(c(O)c1)C1CC(C)(C(O)CCC1(C)C)O2)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.538

CB1 binding score: -17.907

InChIKey:
HFBMBRFTYCWINI-UHFFFAOYSA-N

ID: 73523

SMILES:
C1CC2(C)Oc3c(c(O)cc(CCCCC)c3)C3OC(C)(C)C1C32

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.217

InChIKey:
RWXFGAHANCDVQN-UHFFFAOYSA-N

ID: 73524

SMILES:
C1C=C(C)CC2C1C(C)(C)Oc1c2c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.619

InChIKey:
MMZAEMNNHWYQKW-UHFFFAOYSA-N

ID: 73525

SMILES:
c1(O)ccc(CCc2cc(O)c3c(c2)OC(C)(C)C2C3CC(C)=CC2)cc1OC

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.511

CB1 binding score: -16.01

InChIKey:
YWIDWLJMOMVUBM-UHFFFAOYSA-N

ID: 73526

SMILES:
c1c(CCCCC)cc(O)c(C2C3C(C(C)(C)O2)CCC(C)(OC)C3)c1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -14.108

InChIKey:
SLRNKUCSVSPKIY-UHFFFAOYSA-N

ID: 73527

SMILES:
Cc1cc(C(C)(C)C)c(O)c(OC(=O)C2C3C(C=C(CCC=C(C)C)C)c(O)cc3c2)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 436.592

CB1 binding score: -16.51

InChIKey:
JCYMXBUWTQNLNO-UHFFFAOYSA-N

ID: 73528

SMILES:
CCCCCCc1cc(O)c(C2C=C(C)CCC2C(=C)C)c(OC(=O)C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.533

CB1 binding score: -17.668

InChIKey:
MVIKSQFRYIEMMG-UHFFFAOYSA-N

ID: 73529

SMILES:
C1(C)(C)C2CCC(=C)CC2c2c(O)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.055

InChIKey:
AOYYFUGUUIRBML-UHFFFAOYSA-N

ID: 73530

SMILES:
c1(CCCCC)c(C(=O)O)c(O)c(CC=C(C)CC(=O)C=C(C)C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 374.477

CB1 binding score: -17.854

InChIKey:
QZSBEPASIIIAGQ-UHFFFAOYSA-N

ID: 73531

SMILES:
c12c(cc(O)cc1)OC(C)(C)C1CCC(CO)=CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.379

InChIKey:
NIHCMYBTJLLGPG-UHFFFAOYSA-N

ID: 73532

SMILES:
CC12C(C3C(=C(C)CCC3)C(=C)C(=O)C1)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -10.884

InChIKey:
CVLZYKMKRDLIEG-UHFFFAOYSA-N

ID: 73533

SMILES:
C(CCC)Cc1ccc2c(c1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.926

InChIKey:
PHOCHXXTKASADH-UHFFFAOYSA-N

ID: 73534

SMILES:
C1(C)(C)C2CCC(C)CC2c2c(cc(CCCCC)c(C(=O)OC)c2OC)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.548

CB1 binding score: -16.74

InChIKey:
CKAVQSKGYXVSQB-UHFFFAOYSA-N

ID: 73535

SMILES:
C1=C(C)CCC(C(C)=C)C1c1c(O)cc(CC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -18.786

InChIKey:
YURJBXYTSFIOOT-UHFFFAOYSA-N

ID: 73536

SMILES:
C1(C)=C2c3c(cc(CCCCC)c(O)c3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.116

InChIKey:
QGWDNRDTIFTGQO-UHFFFAOYSA-N

ID: 73537

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.843

InChIKey:
QHCQSGYWGBDSIY-UHFFFAOYSA-N

ID: 73538

SMILES:
CC1(C)C2CC=C(CO)CC2c2c(cc(O)cc2C)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.755

InChIKey:
KLMXISPIOALDDP-UHFFFAOYSA-N

ID: 73539

SMILES:
C(C)(=CCCC(C)=CCc1c(O)cc(CCc2cc(O)c(O)cc2)cc1O)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 450.619

CB1 binding score: -17.946

InChIKey:
QGVQNZLGXFEIHT-UHFFFAOYSA-N

ID: 73540

SMILES:
c1(CO)ccc(CC(C2=C3OC(C(C)=C)(CC2C)C(O)=C(C(c2cc(O)cc(OC)c2)CCC=C(C)C)C3=O)O)cc1OC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 604.74

CB1 binding score: -14.221

InChIKey:
KQMQWIJTQBIMRK-UHFFFAOYSA-N

ID: 73541

SMILES:
C12C(c3c(cc(CCCCC)cc3O)OC1(C)C)CC(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 73542

SMILES:
OC1CC(C)(C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.442

InChIKey:
FRBSLGKYEBNHLH-UHFFFAOYSA-N

3499350035013502350335043505
73522–73542 of 773808 items

Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties