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Molecule Identifiers
Molecular Properties

ID: 66466

SMILES:
c1(C(C)C)c(O)c(C(C(CC)C)=O)c(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.839

InChIKey:
HMHHCCGGLQCWMQ-UHFFFAOYSA-N

ID: 66467

SMILES:
C(Cc1cc(O)c2c(c1C(O)=C)OC(C)(C)C1C2(C)OC(C)(C)C1=O)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -16.214

InChIKey:
BFOONNDBONOOTF-UHFFFAOYSA-N

ID: 66468

SMILES:
c1(CCCCC)cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)c(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.32

InChIKey:
IFESJQLSBVMDMJ-UHFFFAOYSA-N

ID: 66469

SMILES:
C1(Cc2c(O)cc(CCCCCO)cc2O)C(=C)CCC(C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -15.959

InChIKey:
YLQMKKBUEVVMPN-UHFFFAOYSA-N

ID: 66470

SMILES:
OCC1(CO)C2CCC3=C(C2(C)CCC1)C(c1c(O)cc(CCCCC)cc1O)OC3(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.639

CB1 binding score: -13.531

InChIKey:
ZOKUKJHFGSGJDR-UHFFFAOYSA-N

ID: 66471

SMILES:
CC1(CCCC(=C)C)C(O)Cc2c(O)c(C3C=C(C)CCC3C(C)=C)c(O)cc2o1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -12.558

InChIKey:
YSXRHNYAJLCURM-UHFFFAOYSA-N

ID: 66472

SMILES:
C(CCCc1cc2c(c(O)c1)C1C(C(C)(O)CO1)C2)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -18.119

InChIKey:
IKFUGOKHDPHKRL-UHFFFAOYSA-N

ID: 66473

SMILES:
ClCc1c2c(cc(O)c1O)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 308.805

CB1 binding score: -14.574

InChIKey:
XGTRXGBLLSZAAV-UHFFFAOYSA-N

ID: 66474

SMILES:
O(c1cc(CCCC)cc(O)c1C1CC(C)CCC1C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.501

CB1 binding score: -19.518

InChIKey:
TTXFDHGJRSFHBS-UHFFFAOYSA-N

ID: 66475

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(CO)(OC)C=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -15.374

InChIKey:
JWHMATGNZKMXPS-UHFFFAOYSA-N

ID: 66476

SMILES:
C1CCCC12C1C(OC3=CC(=O)C(c4ccccc4)=C3C2(C)C)C=C(CCC)C(O)=C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.561

CB1 binding score: -16.948

InChIKey:
CQIPQVASZPKECX-UHFFFAOYSA-N

ID: 66477

SMILES:
C(C)CCc1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -20.175

InChIKey:
RVWTXSLOGRTPEH-UHFFFAOYSA-N

ID: 66478

SMILES:
C(CC)c1cc(O)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 66479

SMILES:
CC(C)CCC(c1cc2c(c(C(=O)C(C)C)c1O)OC(C)(C)C1C2C=C(C)CC1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.872

InChIKey:
DPPZPILCEQCHEV-UHFFFAOYSA-N

ID: 66480

SMILES:
C(c1cc2c(cc1)OC(C)(C)C1CCC(CO)=CC12)(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids;Sesquiterpenoids

Class: Cadinane sesquiterpenoids;Cannabinoids

MW: 286.415

CB1 binding score: -16.335

InChIKey:
SDBRAJHRXQAYQV-UHFFFAOYSA-N

ID: 66481

SMILES:
C1C(C(C)(CO)O)C(c2c(O)cc(CCCC)cc2O)OC1C(=CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.574

CB1 binding score: -17.109

InChIKey:
JXTVHWAFQFEEGC-UHFFFAOYSA-N

ID: 66482

SMILES:
Oc1c(C2C(C(=C)C)CCC(C)=C2)c(CCCCC)cc(OC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.011

InChIKey:
STJOPYRYWAOBGG-UHFFFAOYSA-N

ID: 66483

SMILES:
c1c(CCCCC)cc(O)c(CC=C(C)C)c1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.366

CB1 binding score: -20.5

InChIKey:
YVUPWYODRDEDFU-UHFFFAOYSA-N

ID: 66484

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.254

InChIKey:
KESUNPQXOLODLB-UHFFFAOYSA-N

ID: 66485

SMILES:
C=C(C)C1C2c3c(cc(CCCCC)cc3O)OC(C)(CC2)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.479

InChIKey:
QFXVVLMSNANAAV-UHFFFAOYSA-N

ID: 66486

SMILES:
CC(=C)C1C2c3c(cc(CCCCC)c(C(=O)O)c3O)OC2(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -16.504

InChIKey:
PLISVYBCTULFAE-UHFFFAOYSA-N

3163316431653166316731683169
66466–66486 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