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Molecule Identifiers
Molecular Properties

ID: 119470

SMILES:
C(c1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -19.739

InChIKey:
WBRXESQKGXYDOL-UHFFFAOYSA-N

ID: 119471

SMILES:
CC1(CCC(=O)C(C)C)C=Cc2cc(C(O)C)c(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -15.418

InChIKey:
MCWOXDUQMTVGBT-UHFFFAOYSA-N

ID: 119472

SMILES:
CC1=CC2C(CC1)C(C)(C)Oc1c2c(OC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.36

CB1 binding score: -17.879

InChIKey:
QUTSEXVWDYCFLT-UHFFFAOYSA-N

ID: 119473

SMILES:
C1(=C)C(CCC(C)=CCc2c(O)cc(CCCCC)cc2O)C(C)(C)CCC1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 400.603

CB1 binding score: -12.928

InChIKey:
GSZDNOHLBAJMJF-UHFFFAOYSA-N

ID: 119474

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2NC(=O)CC(C)=C1C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 343.467

CB1 binding score: -14.48

InChIKey:
FOGBJLCRCRZLFQ-UHFFFAOYSA-N

ID: 119475

SMILES:
C(Cc1c(O)c(C2C(C(C)=C)CCC(C)=C2)c(O)c(C)c1)=CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.507

CB1 binding score: -15.929

InChIKey:
IRXYMWFYEVWJIE-UHFFFAOYSA-N

ID: 119476

SMILES:
C(CC=C(C)CO)C(C)=CCc1c(O)c(CC=C(C)C)cc(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -17.846

InChIKey:
XCFMIWIAGQOTGF-UHFFFAOYSA-N

ID: 119477

SMILES:
C1C(C(=C)C)C(c2c(O)cc(CCC(=O)O)cc2)CC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -15.891

InChIKey:
WGGXWLJISFOWGV-UHFFFAOYSA-N

ID: 119478

SMILES:
C1CC2C(C)(C)Oc3cc(C)cc(O)c3C2(O)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 248.322

CB1 binding score: -16.6

InChIKey:
YGKSMRGDDYDVIE-UHFFFAOYSA-N

ID: 119479

SMILES:
C(CCc1cc2c(c(O)c1)C1C3C(C(OC(C)=O)OC(C(C)C)(C)C)=CC(C)C4(O2)CCC(=C)C143)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 494.672

CB1 binding score: -15.754

InChIKey:
YBXVPORWMZQCOG-UHFFFAOYSA-N

ID: 119480

SMILES:
O=C(C)Oc1cc(CCCCC)cc(O)c1CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 290.403

CB1 binding score: -18.614

InChIKey:
RTFRSXSQUQOXEP-UHFFFAOYSA-N

ID: 119481

SMILES:
CC12Oc3cc(CCCCC)cc(OC(C)=O)c3CC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -16.567

InChIKey:
FSCSLXPUCBPFJC-UHFFFAOYSA-N

ID: 119482

SMILES:
C12CC=C(C)CC1c1c(cc(CCC(C)C)cc1O)OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.956

InChIKey:
ZKWJTCFAAXQQLZ-UHFFFAOYSA-N

ID: 119483

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C=C(C(=O)OC)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -17.943

InChIKey:
CCMWHLPOQSRJEP-UHFFFAOYSA-N

ID: 119484

SMILES:
C1CC(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C1C(=C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -17.616

InChIKey:
XADHVNDJRGVZCL-UHFFFAOYSA-N

ID: 119485

SMILES:
C(CCCc1cc(CC=C(C)C)c(CC=C(C)CCC=C(C)C)c(O)c1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.605

CB1 binding score: -16.95

InChIKey:
DCEGHEOFPYHZDF-UHFFFAOYSA-N

ID: 119486

SMILES:
c12c(c(OC)cc(CCCCC)c1)C1C(CCC(C)=C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -19.348

InChIKey:
FJRQDVCLUUZSIG-UHFFFAOYSA-N

ID: 119487

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -18.374

InChIKey:
FYEVCSFOWVVFOK-UHFFFAOYSA-N

ID: 119488

SMILES:
CC(C)=CCc1c(OC)cc(CCCCC)cc1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -19.169

InChIKey:
FCNLMUQPSJEBQE-UHFFFAOYSA-N

ID: 119489

SMILES:
C(C1c2c3c(cc(C)c2OC)C(C(C)(O)CCC2C(C)(C)OC(=O)C12)O3)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 388.504

CB1 binding score: -14.035

InChIKey:
XXXSDDZEXLBMEM-UHFFFAOYSA-N

ID: 119490

SMILES:
OC1C(Oc2cc(CCCCC)cc(OC)c2O)OC(C)C(OS(=O)(=O)CCCN(C(CC)=O)CSCSc2ccccc2)C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 701.926

CB1 binding score: -15.929

InChIKey:
BKJYBORSQWAYIW-UHFFFAOYSA-N

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119470–119490 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