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Molecule Identifiers
Molecular Properties

ID: 40363

SMILES:
CC1(C)Oc2c(c(O)cc3c2C(=O)N(C(C(=O)OC)C3)CCC(=O)C)C2C=C(C)CCC12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 441.524

CB1 binding score: -16.655

InChIKey:
QZQCOJXELLGOCO-UHFFFAOYSA-N

ID: 40364

SMILES:
C(CCc1cc(O)c2c(c1)OC(C)(C)c1c2c(O)c(CC=C(C)CCC=C(C)CO)cc1O)C=C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 506.683

CB1 binding score: -15.526

InChIKey:
IKDLAXQTESIRAV-UHFFFAOYSA-N

ID: 40365

SMILES:
C(CCCc1cc2c(c(O)c1)C1C=C3C(C(C)C)(O)OC1(O)C(=O)C1CCC(C)(C)CC1C2(C)O3)CCCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 540.741

CB1 binding score: -15.988

InChIKey:
IAOKMRORBQFHDA-UHFFFAOYSA-N

ID: 40366

SMILES:
C1(O)C(C)=CC2C(C(C)(C)Oc3c2c(O)c(C(=O)C(CC)C)c(O)c3O)C1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 376.449

CB1 binding score: -17.682

InChIKey:
BWZMIPZBKUPLCE-UHFFFAOYSA-N

ID: 40367

SMILES:
c1(C)c(OC)c2c(c(OC)c1)C(C)(C)Oc1c2c(O)cc(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 370.489

CB1 binding score: -10.498

InChIKey:
ICSZDISABGYYNF-UHFFFAOYSA-N

ID: 40368

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

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 274.404

CB1 binding score: -17.296

InChIKey:
AOHZVNAOWOSDFO-UHFFFAOYSA-N

ID: 40369

SMILES:
C1=C(C)CCC=C(C)CC2c3c(O)cc(CCCCC)cc3OC(C)(C)C2C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -17.813

InChIKey:
LISQMXYEJUYUCR-UHFFFAOYSA-N

ID: 40370

SMILES:
C(CCCC)c1cc2c(c(O)c1)C1C(CC=C(C)C1)C(C)(C)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 40371

SMILES:
C(CCC1(C)Oc2c(c(O)c(C(=O)O)c(CCCCC)c2)C(O)C1O)=C(C)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 460.611

CB1 binding score: -15.924

InChIKey:
FXCDZUQMWVGJGC-UHFFFAOYSA-N

ID: 40372

SMILES:
COc1ccc(C2C=C(C)CCC2C(=C)C)c(O)c1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.88

InChIKey:
QPJZATIMFVDWEL-UHFFFAOYSA-N

ID: 40373

SMILES:
C(=C(C)CO)COc1cc(CCCCC)ccc1C1OC1(C)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -13.949

InChIKey:
DSHJLSVPPYWAIV-UHFFFAOYSA-N

ID: 40374

SMILES:
C1C(C)=CC2C(C(C)(C)Oc3c2c(O)cc(CCCCC)c3)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 40375

SMILES:
CC1(C)C2CC(=O)C(C)=CC2c2c(O)cc(CCCCC)cc21

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -15.434

InChIKey:
QJJBHZXZFVQYJQ-UHFFFAOYSA-N

ID: 40376

SMILES:
C(CC1C(C)(C)OC(C)(C)O1)C(=CCCC1(C)Oc2c(cc(OC)cc2C)C=C1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -16.084

InChIKey:
ZGPAJOIWXMIVMY-UHFFFAOYSA-N

ID: 40377

SMILES:
C(O)(C1(CC=C(C)CCC=C(C)C)Oc2cc(CCCCC)cc(O)c2C1)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -16.689

InChIKey:
JIWORZUZZFQPBR-UHFFFAOYSA-N

ID: 40378

SMILES:
Oc1cc(CCCCC)c(C(OC)=O)c(O)c1CC=C(CCC=C(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids;Tetraketide meroterpenoids

MW: 374.521

CB1 binding score: -19.567

InChIKey:
RSOBBJCWWQRAAM-UHFFFAOYSA-N

ID: 40379

SMILES:
O=CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1C=CC2C1C(C)C(=O)O1

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.472

CB1 binding score: -14.466

InChIKey:
MPLLQEFCSPCSQB-UHFFFAOYSA-N

ID: 40380

SMILES:
C(=CCCC1(C)C=Cc2cc(O)c(C)cc2O1)(CC=CC(C)C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.48

CB1 binding score: -18.334

InChIKey:
ZVFIGQREIYTSEH-UHFFFAOYSA-N

ID: 40381

SMILES:
CCC(C(=O)c1cc2c(c(O)c1)C1C(CCC(C)C1)C(C)(C)O2)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -16.817

InChIKey:
GQEUNQXKDIOPEN-UHFFFAOYSA-N

ID: 40382

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(CCC=C(C)C)C=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.933

InChIKey:
UVOLYTDXHDXWJU-UHFFFAOYSA-N

ID: 40383

SMILES:
C1(C)(C)Oc2cc(CCCCC)cc(O)c2C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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40363–40383 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