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Molecule Identifiers
Molecular Properties

ID: 81943

SMILES:
C1CC(C)(O)C2=C(C=C1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.479

CB1 binding score: -14.65

InChIKey:
XMJPSXXCHVKVFQ-UHFFFAOYSA-N

ID: 81944

SMILES:
c1(O)cc(CCOC(=O)CCCCCCCC=CCC=CCCCCC)cc2c1OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 550.824

CB1 binding score: -13.814

InChIKey:
SPWOSKXIJDXJIM-UHFFFAOYSA-N

ID: 81945

SMILES:
C=C1CCC(C(C)=C)C2c3c(O)cc(CCCCC)cc3OC21C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -16.652

InChIKey:
DFJRGNVURMGNFQ-UHFFFAOYSA-N

ID: 81946

SMILES:
c1c2c(O)cc(CCCCC)cc2c(O)c2c1OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.528

CB1 binding score: -15.707

InChIKey:
CWJFXGPQTXSSPZ-UHFFFAOYSA-N

ID: 81947

SMILES:
O(C(=O)C)CC1=CCC2C(C1)c1c(O)cc(C)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -17.842

InChIKey:
DPMQJESIVXDEAS-UHFFFAOYSA-N

ID: 81948

SMILES:
c1(OC)c(C2C=C(C)CCC2C(=C)C)c(O)c(CC=C(C)C)c(O)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.193

InChIKey:
GOTYVWIGRFFPCG-UHFFFAOYSA-N

ID: 81949

SMILES:
C(C)(=CCCC1(C)Oc2c(c(O)cc(CCCC)c2)C=C1)C=C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -16.336

InChIKey:
YQPZOFCRSXFVOB-UHFFFAOYSA-N

ID: 81950

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.198

InChIKey:
NUXUDGMVYZUFNQ-UHFFFAOYSA-N

ID: 81951

SMILES:
OC(COc1c(CCCCC)cc(O)c(CC=C(C)CCCC(=C)C)c1)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -16.236

InChIKey:
DEQCVDHFLAHVQJ-UHFFFAOYSA-N

ID: 81952

SMILES:
OC(c1cc2c(c(O)c1)C1C(C(C)(C)O2)CC=C(C)CC1)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.37

CB1 binding score: -16.829

InChIKey:
IQHQPLGERMOXIZ-UHFFFAOYSA-N

ID: 81953

SMILES:
C(CCC=C(C)C)(=CCCC(C)=CCc1c(O)c(C(=O)O)c(CCCCC)cc1O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 428.613

CB1 binding score: -18.353

InChIKey:
QNRJPRFPLQBROG-UHFFFAOYSA-N

ID: 81954

SMILES:
C1C2(c3c(cc(CCCCC)cc3O)OC2(C)C)C(OC)(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.814

InChIKey:
YQBZZHLZSUGXAW-UHFFFAOYSA-N

ID: 81955

SMILES:
O1C(C)(C)C(OC(=O)C)CC(O)C1(CC=CC(=CC(C)=CCc1cc(OC)ccc1O)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 458.595

CB1 binding score: -15.338

InChIKey:
BEQPLHANHNYMSK-UHFFFAOYSA-N

ID: 81956

SMILES:
COc1cc(C2C(C(C)=C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.401

InChIKey:
YRXZLRWBEYIBHE-UHFFFAOYSA-N

ID: 81957

SMILES:
C(CCc1cc(O)c2c(c1C=O)OC(C)(C)C1CCC(C)=CC12)(C)c1ccc(C)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -15.829

InChIKey:
CIHHYCSKCGDHPZ-UHFFFAOYSA-N

ID: 81958

SMILES:
C(=C(C)C)CCC(=CCc1cc(O)c(C)cc1O)COC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -18.349

InChIKey:
LKKFKZYYYIFCOI-UHFFFAOYSA-N

ID: 81959

SMILES:
C(CCC(C)=CCCC1(C)Oc2c(c(O)cc(CCCCCC)c2)C=C1)(C(C)C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.614

CB1 binding score: -16.131

InChIKey:
YECVNSBJBNXMBS-UHFFFAOYSA-N

ID: 81960

SMILES:
c12c(O)cc(CCCCC)cc1OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 81961

SMILES:
CC1=CCC(C)C(C)(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.438

InChIKey:
DMLCYMDYJIBSGO-UHFFFAOYSA-N

ID: 81962

SMILES:
C(CCCCC)c1cc2c(c(O)c1)C1CC(=C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.168

InChIKey:
OGQUFUKUTFQVAV-UHFFFAOYSA-N

ID: 81963

SMILES:
C(CC=CCc1cc(OC)c2c(c1)OC(C)(C)C1CC=C(C)CC21)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.929

InChIKey:
VWHZNDPJYMJWJO-UHFFFAOYSA-N

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81943–81963 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