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Molecule Identifiers
Molecular Properties

ID: 103972

SMILES:
c1(OC)cc(CCC)cc2c1C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.442

CB1 binding score: -18.213

InChIKey:
UHLNEMXDLSJNQX-UHFFFAOYSA-N

ID: 103973

SMILES:
C12C(C)(C)Oc3c(C=O)c(OC)c(C)c(CC=C(C)C)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.517

CB1 binding score: -15.583

InChIKey:
WILZAQFNJFKOFD-UHFFFAOYSA-N

ID: 103974

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -20.128

InChIKey:
YOJPFISTURZHJT-UHFFFAOYSA-N

ID: 103975

SMILES:
C(CCCc1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.561

CB1 binding score: -15.929

InChIKey:
KMEUZAHKDIHERT-UHFFFAOYSA-N

ID: 103976

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC1(C)CCC(C(C)C)C2C1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -18.261

InChIKey:
WFEKWKJJKWMERA-UHFFFAOYSA-N

ID: 103977

SMILES:
c12c(cc(CCCCC)cc1OC)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -18.823

InChIKey:
GRLARWXSTOXAGR-UHFFFAOYSA-N

ID: 103978

SMILES:
C(Cc1cc(O)c2c(c1)OC(C(C)(C)O)C2)C=C(C)CCC=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -15.822

InChIKey:
LHMBJCBIZWCNAI-UHFFFAOYSA-N

ID: 103979

SMILES:
c12c(O)c(C)c(OC)cc1C1C(C(C)(C)O2)CCC(C)=C1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 304.386

CB1 binding score: -16.652

InChIKey:
JSMGXFUMLWDPPZ-UHFFFAOYSA-N

ID: 103980

SMILES:
CC(=CCc1c(O)cc(CCCCCCC)cc1OC)C=CC=C(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -15.515

InChIKey:
DQMNLUONJQPGMU-UHFFFAOYSA-N

ID: 103981

SMILES:
C(Cc1c2c(c(O)cc1)C1C(C(C)(C)O2)CCC(C)=C1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -18.367

InChIKey:
ARCCJNTVTZPGNU-UHFFFAOYSA-N

ID: 103982

SMILES:
CCc1ccc2c(c1)C1C(C(C)(C)O2)CCC(C)=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 256.389

CB1 binding score: -17.496

InChIKey:
PIHQRXHMIQRSRT-UHFFFAOYSA-N

ID: 103983

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)C1C2C=C(C)CC1)C(=CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 394.599

CB1 binding score: -13.522

InChIKey:
JMIHICSEXSBFQQ-UHFFFAOYSA-N

ID: 103984

SMILES:
c1c(OC)cc2c(c1)OC(C)(C)C1C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -17.764

InChIKey:
NRRZXOLZVDIGDT-UHFFFAOYSA-N

ID: 103985

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC21)CO

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.758

InChIKey:
TXVRIJHVLPFPMD-UHFFFAOYSA-N

ID: 103986

SMILES:
CC1(C)C2CCC(C)=CC2c2c(O)cc(CCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -19.321

InChIKey:
ZROLHBHDLIHEMS-UHFFFAOYSA-N

ID: 103987

SMILES:
C1=C(C)CCC2C1c1c(cc(CCCCCCC)cc1OC)OC(C)(C)C2CCC(C)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.684

CB1 binding score: -14.706

InChIKey:
AMULWROCVMSYJX-UHFFFAOYSA-N

ID: 103988

SMILES:
C(c1c(O)c2c(cc1O)OC(C)(CCC=C(C)C)C=C2)CCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.441

CB1 binding score: -17.369

InChIKey:
SWYMGQXYIANPPR-UHFFFAOYSA-N

ID: 103989

SMILES:
c1(CC=C(C)CCC=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: 103990

SMILES:
C1(C)(C)Oc2c(cc(CCCCC)cc2O)C=C1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -16.68

InChIKey:
JNDZWTDJJHBKOB-UHFFFAOYSA-N

ID: 103991

SMILES:
O=C(CC)Oc1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 300.398

CB1 binding score: -16.542

InChIKey:
SMPPPOQKEUJONF-UHFFFAOYSA-N

ID: 103992

SMILES:
C(=C(C)CC(C=C(C)C)=O)Cc1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.418

InChIKey:
LGODBTZHJXNSNC-UHFFFAOYSA-N

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103972–103992 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