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Molecule Identifiers
Molecular Properties

ID: 131545

SMILES:
c1(O)c(O)cc2c(c1)OC(C)(C)C1CC=C(C)CC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -20.544

InChIKey:
MBKJEOZJMBSFKH-UHFFFAOYSA-N

ID: 131546

SMILES:
Oc1c2c(cc(C(CCCCC)O)c1)CC1C(CC=C(C)C)(C1=O)OCC2C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -15.083

InChIKey:
ZSXHRIGAIGEKOV-UHFFFAOYSA-N

ID: 131547

SMILES:
C1(c2c(O)cc(C)cc2OC)C(C)(C)OC(=O)C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 250.294

CB1 binding score: -16.053

InChIKey:
ZZFLUJXCMYATQW-UHFFFAOYSA-N

ID: 131548

SMILES:
C(O)C1=CC2c3c(OC)cc(CCC)cc3OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -16.594

InChIKey:
RZOPEJOJADYUSH-UHFFFAOYSA-N

ID: 131549

SMILES:
C(Oc1cc(CCCCCC)cc2c1C1C(O)C(C)(C)OC1=C(C)C2=O)(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.532

CB1 binding score: -19.181

InChIKey:
AMIIIKYJVHXJQQ-UHFFFAOYSA-N

ID: 131550

SMILES:
Oc1c(CC=C(C)CCC=C(C)C)c(O)c2c(c1)OC(C)(C)C1CC=C(CO)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.57

CB1 binding score: -15.983

InChIKey:
CUCYCIYMXBSNTJ-UHFFFAOYSA-N

ID: 131551

SMILES:
C1C2CC(c3c(O)cc(CCCCC)cc3OC2(C)C)CC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.131

InChIKey:
SFXCXBGQXALIEB-UHFFFAOYSA-N

ID: 131552

SMILES:
C1(C(C)C)CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.815

InChIKey:
PCXRACLQFPRCBB-UHFFFAOYSA-N

ID: 131553

SMILES:
C=C1CCC(O)C(C)(C)OC(=O)c2c(O)ccc(CCCCC)c2CC=C(C)CCC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 428.613

CB1 binding score: -13.031

InChIKey:
DVCNDQQEPSQNDW-UHFFFAOYSA-N

ID: 131554

SMILES:
C12C(c3c(O)cc(CCCCC)cc3OC1(C)C)CC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -16.832

InChIKey:
AFNHADXRZFCASY-UHFFFAOYSA-N

ID: 131555

SMILES:
C1C2C(C)=CCC12c1c(O)c2c(cc1)C=CC(CCC=C(C)C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 336.475

CB1 binding score: -13.299

InChIKey:
LWMPTHXDRUQAND-UHFFFAOYSA-N

ID: 131556

SMILES:
C1CC(OC(=O)C(=CC)C)C(C)C2(C)C1c1c(O)cc(CCc3ccc(OC)cc3)cc1OC2C=C(CCC=C(C)C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 586.813

CB1 binding score: -16.05

InChIKey:
IWIWHNQCHKWAKI-UHFFFAOYSA-N

ID: 131557

SMILES:
C1CC2C(C)(C)Oc3ccc(CCCCC)cc3C2C2C1(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.249

InChIKey:
HSWAKBLPERABOQ-UHFFFAOYSA-N

ID: 131558

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 131559

SMILES:
c1(C2C(C(=C)C)CCC(C)=C2)cccc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 228.335

CB1 binding score: -18.81

InChIKey:
RLNFSWIFLYYPPU-UHFFFAOYSA-N

ID: 131560

SMILES:
C(C)(O)(CCC=C(CO)C)C1CCC(C)=CC1c1c(O)cc(C(c2c(O)cc(O)cc2CC=C(CCC=C(C)C)C)=O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 602.812

CB1 binding score: -16.051

InChIKey:
KYQQNPQSCOIKPH-UHFFFAOYSA-N

ID: 131561

SMILES:
OC1C2C(c3c(O)cc(CCCCC)cc3OC2(C)C)CC(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -17.876

InChIKey:
LVNFKVCNQYPBTD-UHFFFAOYSA-N

ID: 131562

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C(O)C2C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -13.901

InChIKey:
FRCVLXQJGRWYOW-UHFFFAOYSA-N

ID: 131563

SMILES:
CCCCCc1ccc2c(c1)OCC(C)=CCC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.378

CB1 binding score: -15.372

InChIKey:
ANJILIMSMOTLBG-UHFFFAOYSA-N

ID: 131564

SMILES:
c1c(O)cc2c(c1)C1C(CCC(CO)=C1)C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.333

CB1 binding score: -17.379

InChIKey:
NIHCMYBTJLLGPG-UHFFFAOYSA-N

ID: 131565

SMILES:
CC1(C)Oc2c3c(ccc2C2=NC(CC(C)(O)C)Oc4cc(CCCCC)cc(O)c42)CC(OC(C)=O)C31

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 521.654

CB1 binding score: -13.214

InChIKey:
RRGIJNRDQNWMAN-UHFFFAOYSA-N

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131545–131565 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