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Molecule Identifiers
Molecular Properties

ID: 141499

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 380.572

CB1 binding score: -16.078

InChIKey:
BKLORQMMHIZLRX-UHFFFAOYSA-N

ID: 141500

SMILES:
C1=CC(CC=C(C)C)=CC(c2cc(CCCCC)ccc2O)C1C(C)(O)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.327

InChIKey:
FBCZACACMRNBMP-UHFFFAOYSA-N

ID: 141501

SMILES:
c1(O)c(C(C)(C)C)cc2c(c1)C1C=C(C)CCC1C(C)(CCC=C(C)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -12.838

InChIKey:
KYCJJJOQZYQMBG-UHFFFAOYSA-N

ID: 141502

SMILES:
C12Cc3c(cc(CCCCC)cc3O)OC1(C)CCC2C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.583

InChIKey:
BPCSQTQTIGSQEK-UHFFFAOYSA-N

ID: 141503

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.532

InChIKey:
REOZWEGFPHTFEI-UHFFFAOYSA-N

ID: 141504

SMILES:
c1(CC2C(C)(O)CCC2C(C)=C)cc(CCCCC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -17.152

InChIKey:
TYASVTHKXBLFAG-UHFFFAOYSA-N

ID: 141505

SMILES:
C(CC)CCc1cc2c(c(O)c1)C1C=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: 141506

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 510.715

CB1 binding score: -16.662

InChIKey:
LFDAHPLIJRDCNQ-UHFFFAOYSA-N

ID: 141507

SMILES:
C1c2c(cccc2O)OC1(CCC(C(C)(C)O)O)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 266.337

CB1 binding score: -15.3

InChIKey:
GGDNUZSGRGRWFF-UHFFFAOYSA-N

ID: 141508

SMILES:
O1c2c(c(O)cc(CCCCC)c2)C2CC(C(O)=O)CC(=O)C2C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.423

CB1 binding score: -15.411

InChIKey:
LSUHWVASSCURSR-UHFFFAOYSA-N

ID: 141509

SMILES:
CC(C)(O)C1CCC(C)=CC1c1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.43

CB1 binding score: -19.168

InChIKey:
BMEOABJGGIYLGA-UHFFFAOYSA-N

ID: 141510

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)c(Oc3c(O)cc(O)c4c3OC(CCC=C(C)C)(C)C=C4)cc(C)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.705

CB1 binding score: -13.814

InChIKey:
RJDZQFNSCAXISD-UHFFFAOYSA-N

ID: 141511

SMILES:
C1C23C(=C(CCCC)C1=O)OC(C)(C)C2CCC3C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 262.393

CB1 binding score: -15.003

InChIKey:
JQUNKDBPTLOJRS-UHFFFAOYSA-N

ID: 141512

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1C1OC2(C)CCC=C(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.19

InChIKey:
RXTSMMDKZSAAKJ-UHFFFAOYSA-N

ID: 141513

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 141514

SMILES:
C1(C)(C)Oc2c(c(O)cc(CCCCC)c2)C(O)C2C(C)(O)CCC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.483

CB1 binding score: -17.792

InChIKey:
DBIMMDHTGRHESP-UHFFFAOYSA-N

ID: 141515

SMILES:
CCCc1c(C=C)c(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -12.715

InChIKey:
TXEDOTSXKACNKO-UHFFFAOYSA-N

ID: 141516

SMILES:
C1(C)C2C(C=C(C)CC2)c2c(O)cc(C)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 244.334

CB1 binding score: -17.527

InChIKey:
FMJNAKPTTHESLW-UHFFFAOYSA-N

ID: 141517

SMILES:
C1(C(C)=C)C(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -17.799

InChIKey:
HUWIJEATOIUYIN-UHFFFAOYSA-N

ID: 141518

SMILES:
C12C(C)CCC1C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -19.029

InChIKey:
HCVJHHUJBXZYBI-UHFFFAOYSA-N

ID: 141519

SMILES:
C1(C)(C)CCC(C)(O)C1COc1c(O)c(C(=O)OC)c(Oc2cc(COC)cc(CC=C(CCC=C(C)C)C)c2)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 580.762

CB1 binding score: -12.447

InChIKey:
IMESAHPKUSMLPL-UHFFFAOYSA-N

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141499–141519 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