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Molecule Identifiers
Molecular Properties

ID: 84862

SMILES:
c1(CO)cc(CCCCC)cc2c1OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -11.848

InChIKey:
RNLQPZQRACBANG-UHFFFAOYSA-N

ID: 84863

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -17.334

InChIKey:
FEVNJHJSVXGYQO-UHFFFAOYSA-N

ID: 84864

SMILES:
C=C(C12CC(O)C(C)=CC1c1c(O)cc(C)cc1OC2=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.354

CB1 binding score: -16.564

InChIKey:
OUMQYUIKEVHRHT-UHFFFAOYSA-N

ID: 84865

SMILES:
C(CCCCCC)CCCc1cc(O)c(C2C=C(CCC=C(C)C)C(=O)O2)cc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.981

InChIKey:
NWXZPJPXARUKJR-UHFFFAOYSA-N

ID: 84866

SMILES:
C(CC)CCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -20.052

InChIKey:
YOVRGSHRZRJTLZ-UHFFFAOYSA-N

ID: 84867

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C(C(C(C)CC)=O)C)c3)C2C1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -14.225

InChIKey:
UKQNUGMOLFFPGJ-UHFFFAOYSA-N

ID: 84868

SMILES:
COc1cc2c(cc1CCCCC)OC(C)(C)C1C2CC(C)=CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.522

InChIKey:
ZKEVJOWMGAJOFL-UHFFFAOYSA-N

ID: 84869

SMILES:
OC(C)(C)c1cc(O)c2c3c1OC(C)(C)C1C3CC(C)(CC1)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.413

CB1 binding score: -16.5

InChIKey:
CQKXYKFMXWFKOU-UHFFFAOYSA-N

ID: 84870

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 84871

SMILES:
Oc1cc(CCCCC)c(O)cc1CC=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.968

InChIKey:
RNKSQHRRYNTMIO-UHFFFAOYSA-N

ID: 84872

SMILES:
C1CC(C)(C)Oc2c(c(O)cc(CCCCC)c2)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 278.392

CB1 binding score: -16.111

InChIKey:
RQWYVCGIIWOXBX-UHFFFAOYSA-N

ID: 84873

SMILES:
C(CCC)Cc1cc(O)c2c(c1)OC(C)C1C2CC(C)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -17.173

InChIKey:
WTOPHWZTAPPNKN-UHFFFAOYSA-N

ID: 84874

SMILES:
CC1(C)C2C(c3c(cc(CCCCC)cc3O)O1)C(O)C(C)=CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.186

InChIKey:
KQQMZTULVOWZJR-UHFFFAOYSA-N

ID: 84875

SMILES:
C1=C(C)CCC(C(=C)C)C1c1cc(O)cc(C)c1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.975

InChIKey:
UUVKQBRZNCLIFS-UHFFFAOYSA-N

ID: 84876

SMILES:
C(=C)(C)C1C(c2ccc(CCCCC)cc2)CC(C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.487

CB1 binding score: -18.061

InChIKey:
DESJARXNHPEZEM-UHFFFAOYSA-N

ID: 84877

SMILES:
C1C(C(C)=C)C(c2cc(OC)cc(O)c2)C(=O)C(CCCCCC)(O)C1CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -15.434

InChIKey:
SJJPLFFPUGUWKN-UHFFFAOYSA-N

ID: 84878

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)CC1)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.172

InChIKey:
RNJORKPXURBQCV-UHFFFAOYSA-N

ID: 84879

SMILES:
CC1(C)Oc2c(c(O)cc(CCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 84880

SMILES:
C1CC2(C)CC(c3c(O)cc(CCCC)cc3O)C(C2(C)C)C(OC(=O)C)CC(=C)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -14.144

InChIKey:
QRIZOLIFPGNJKK-UHFFFAOYSA-N

ID: 84881

SMILES:
O(c1c(OC(C)=O)c2c(cc1)C(=O)C1C=C(C)CCC1C(C)(C)O2)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.407

CB1 binding score: -15.519

InChIKey:
JLRVUISNCQBUFC-UHFFFAOYSA-N

ID: 84882

SMILES:
C1=C(C)CC2c3c(cc(CCCCC)cc3O)OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

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84862–84882 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