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Molecule Identifiers
Molecular Properties

ID: 137425

SMILES:
C1CC(C)CC2=C1C(C)CCC2CC1(C)Oc2cc(CCCCC)cc(O)c2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 396.615

CB1 binding score: -15.962

InChIKey:
WZEDZWYZPFPKSU-UHFFFAOYSA-N

ID: 137426

SMILES:
C1(C(C)C)=CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C1C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -17.972

InChIKey:
ZMMDPERLLILPJD-UHFFFAOYSA-N

ID: 137427

SMILES:
CC(c1cc(O)c(C)cc1)(C)CCCC1(C)Oc2c(cc(O)c(C)c2)C=C1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.501

CB1 binding score: -16.729

InChIKey:
LSTLXDJUYOBKHU-UHFFFAOYSA-N

ID: 137428

SMILES:
C(C)(C)=CCCC(C1CCC(C(=O)OC)=CC1c1c(O)cc(CCCCC)cc1OC)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.64

CB1 binding score: -14.56

InChIKey:
UNTRHAQPMAEDCV-UHFFFAOYSA-N

ID: 137429

SMILES:
Oc1c(C=O)c(O)c2c(c1)C1C=C(C)CCC1C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.343

CB1 binding score: -18.055

InChIKey:
GEZAYKHATNAJMB-UHFFFAOYSA-N

ID: 137430

SMILES:
C(CO)c1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC3C21O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.397

CB1 binding score: -14.902

InChIKey:
PKKOOCVCEFKKBW-UHFFFAOYSA-N

ID: 137431

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 356.55

CB1 binding score: -18.334

InChIKey:
XBCSXUYXVCTQRG-UHFFFAOYSA-N

ID: 137432

SMILES:
c1(O)cc(CCCCC)cc2c1C1C=C(C)CCC1C(=C)CC2C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.573

CB1 binding score: -14.916

InChIKey:
JXAOWJKTWQPMRC-UHFFFAOYSA-N

ID: 137433

SMILES:
C(Oc1cc(CC=C(C)CCC=C(C)C)c(O)c(C=O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -14.971

InChIKey:
RFHRUXVWFXBISF-UHFFFAOYSA-N

ID: 137434

SMILES:
c1(CCCCC)c(C2OC(OCC(CO)=CCCC3(C)Oc4cc(C)cc(C(O)=O)c4C3)CC2)ccc(O)c1OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 568.707

CB1 binding score: -13.476

InChIKey:
PYSNEPLUBCTWGB-UHFFFAOYSA-N

ID: 137435

SMILES:
C12C3(C(CCC1C)C(C)(C)Oc1cc(CCCCC)cc(O)c13)CCC(O)(C)C2O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 416.602

CB1 binding score: -15.473

InChIKey:
GTGZREIFZSQBKX-UHFFFAOYSA-N

ID: 137436

SMILES:
Brc1c(O)cc(CC=C(C)C)c(OC)c1C1C(C(C)=CCCC(C)=CC=CC(=C)C)C(=O)CCC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 555.553

CB1 binding score: -14.739

InChIKey:
SJAMBSOQTKGAQP-UHFFFAOYSA-N

ID: 137437

SMILES:
C=C(C)C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 137438

SMILES:
C(CCc1cc2c(c(O)c1)C1C(C(=C)C)CCC(C)(O2)C1)(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -15.145

InChIKey:
FHJKWLZUDZZCMJ-UHFFFAOYSA-N

ID: 137439

SMILES:
C(c1c(O)c(C)cc2c1C1(C(=O)OC(C=C(C)C)OC1)O2)CCC(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.45

CB1 binding score: -12.54

InChIKey:
VHSORWOEQVMYAT-UHFFFAOYSA-N

ID: 137440

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1OC)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.512

CB1 binding score: -19.49

InChIKey:
KASVLYINZPAMNS-UHFFFAOYSA-N

ID: 137441

SMILES:
C1C=C(C(O)(C)C)Cc2c(c(OC(C)=O)cc(CCCCC)c2)C1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -14.476

InChIKey:
MAIQVMKCVGRMTH-UHFFFAOYSA-N

ID: 137442

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 444.612

CB1 binding score: -13.633

InChIKey:
ZNONSOTVBSTETL-UHFFFAOYSA-N

ID: 137443

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(C)c3)C12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -20.957

InChIKey:
WIDIPARNVYRVNW-UHFFFAOYSA-N

ID: 137444

SMILES:
C1(C)=CC(c2c(O)cc(CCc3ccc(O)cc3)cc2O)C(C(=C)C)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 364.485

CB1 binding score: -18.334

InChIKey:
QLPVCOQUNQFEAZ-UHFFFAOYSA-N

ID: 137445

SMILES:
CC(C1CCC(C)=CC1c1c(O)cc(CCCCC)cc1)=CC=CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 366.589

CB1 binding score: -15.588

InChIKey:
LOKQPQJXOBJVDA-UHFFFAOYSA-N

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Molecule Overview

Structure and Identifiers
Isoprenova ID:
Molecular weight:
Biosynthetic pathway:
Superclass:
Class:
InChIKey:
SMILES:
Predicted Receptor Binding
Drug-likeness
Physicochemical Properties