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Molecule Identifiers
Molecular Properties

ID: 128500

SMILES:
c1c(C2C(C(C)C)CC=C(CCl)C2)c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 334.931

CB1 binding score: -15.899

InChIKey:
RLBNGVURNOQORX-UHFFFAOYSA-N

ID: 128501

SMILES:
C1(C)(CCC2C(C)(C)O1)Oc1cc(OC)cc(C)c1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.376

CB1 binding score: -15.929

InChIKey:
HZWFQBFGAFZULL-UHFFFAOYSA-N

ID: 128502

SMILES:
C1C2C(CC(C)=C1)c1c(cc(CCCCC)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 128503

SMILES:
C(Oc1c(OC)c2c(c(O)c1CC=C(C)C)C1C(C(C)(C)O2)CCC(O)(C)C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 404.547

CB1 binding score: -13.766

InChIKey:
OISRXMJRCQDODY-UHFFFAOYSA-N

ID: 128504

SMILES:
c12cc(CCCCC)cc(O)c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128505

SMILES:
c1c(O)c2c(cc1CCCCC)OC(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: 128506

SMILES:
c12c(c(OC)cc3c1C1C=C(C)CCC1C(C)(C)O3)c(O)ccc2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.42

CB1 binding score: -15.642

InChIKey:
CRKNOENAZHYHGK-UHFFFAOYSA-N

ID: 128507

SMILES:
O1C2(c3c(O)cc(CCCCC)cc3OC3(C)CCCC(C)(C)C23)C2=C1CCCC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 410.598

CB1 binding score: -16.66

InChIKey:
VSAPFTRUUVQZPV-UHFFFAOYSA-N

ID: 128508

SMILES:
C12CCC(C)=CC1c1cc(CCCCC)cc(O)c1C2(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.054

InChIKey:
QQDZIOFOBQFBBH-UHFFFAOYSA-N

ID: 128509

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C)(C)C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 128510

SMILES:
CC(Cc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)CC1=O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -12.66

InChIKey:
IJKSBOQSFQLSJP-UHFFFAOYSA-N

ID: 128511

SMILES:
C(C)(C1C(c2c(O)cc(CCC)cc2O)CC(C)=CC1)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.526

InChIKey:
OUSVXXHMVATQDN-UHFFFAOYSA-N

ID: 128512

SMILES:
c1(CC=C(CC(O)C=C(CC(C)=O)C(=O)OC)C)c(O)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.53

CB1 binding score: -12.925

InChIKey:
JDOGQAQYEGFFFR-UHFFFAOYSA-N

ID: 128513

SMILES:
C(=C(CCC=C(C)C)C)Cc1cc(C2C(C(=C)C)CCC(C)=C2)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.573

CB1 binding score: -19.077

InChIKey:
UYOQCGMZXXSXRT-UHFFFAOYSA-N

ID: 128514

SMILES:
C1C(C(=C)C)C(c2ccc(CCCCCCCCC)cc2O)C(C(OC)(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.674

CB1 binding score: -15.636

InChIKey:
NSGKXCFEXXOOQT-UHFFFAOYSA-N

ID: 128515

SMILES:
C12C(CC(C)=CC1)c1ccc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 298.47

CB1 binding score: -18.423

InChIKey:
MRLLOLSGDYQJHB-UHFFFAOYSA-N

ID: 128516

SMILES:
c1c(O)c(CC(C(=O)C=CC(C)(C)O)=C)c(O)cc1CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.359

CB1 binding score: -15.205

InChIKey:
OLOZEPFCLNSEOS-UHFFFAOYSA-N

ID: 128517

SMILES:
C1(C)(C)Oc2cc(C)cc(O)c2C2=C(CC1)C(C)CC2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.407

InChIKey:
UNRUMMWIVCKFIJ-UHFFFAOYSA-N

ID: 128518

SMILES:
O(c1cc(CCCCC)cc2c1C1CC(C)=CCC1C(=C)C2)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 324.508

CB1 binding score: -10.492

InChIKey:
GEOLQWFWUYUQHL-UHFFFAOYSA-N

ID: 128519

SMILES:
CC1=CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2CC1=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -19.026

InChIKey:
FJVJQPVMJALOMF-UHFFFAOYSA-N

ID: 128520

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -15.187

InChIKey:
PWVNLZNQMCMYAA-UHFFFAOYSA-N

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128500–128520 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