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Molecule Identifiers
Molecular Properties

ID: 71485

SMILES:
c12c(c(O)cc(C)c1)-c1c(O)cc(CCCCC)cc1OC2(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 326.436

CB1 binding score: -17.792

InChIKey:
CYTXEQAJNPZCEA-UHFFFAOYSA-N

ID: 71486

SMILES:
C(=O)C(C)=C1C2=C(CC3(C)C4C(c5c(cc(CCCCC)cc5O)OC4(C)CCC3)O2)CC1(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 478.673

CB1 binding score: -15.116

InChIKey:
IBQUQVHQDBHCFF-UHFFFAOYSA-N

ID: 71487

SMILES:
C(O)(c1cc(-c2c(O)cc(CCCC)cc2)c(O)c(C2C=C(C)CCC2C(=C)C)c1)CC(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 462.674

CB1 binding score: Not available

InChIKey:
NRKGCVYRMRKMGP-UHFFFAOYSA-N

ID: 71488

SMILES:
CC1C2(C)OC(C(=CCC=C(C)C)C)CC1Oc1cc(CCCCC)ccc12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 382.588

CB1 binding score: -15.007

InChIKey:
GFWVPLCJOGXMOQ-UHFFFAOYSA-N

ID: 71489

SMILES:
c12c(cc(CCCCC)cc1O)OC(C)(C)C(O)C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 264.365

CB1 binding score: -19.729

InChIKey:
GIIVGKMZIUKMMN-UHFFFAOYSA-N

ID: 71490

SMILES:
CC12C(Cc3c(c4c(cc3O)C(=O)OC4c3c(O)cc(CCCCCC)cc3O)CC1)C(C(C)=C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 504.667

CB1 binding score: -15.288

InChIKey:
PGJZLNCRVPWPRF-UHFFFAOYSA-N

ID: 71491

SMILES:
C(CC(C)=CCc1c(O)c2c(c(OC)c1)C=CC(C)(C)O2)=CC(=C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 340.463

CB1 binding score: -15.616

InChIKey:
XJSKIJBCNVCRAZ-UHFFFAOYSA-N

ID: 71492

SMILES:
c12cc(CC)cc(O)c1CCC1(O)C(CCCC(C)CO)(C)OC(C)(C)C1C2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -14.347

InChIKey:
QABJZWWTMQBNBS-UHFFFAOYSA-N

ID: 71493

SMILES:
C(CCCCCC(OCC(=C)C1CC=C(C)CC1)C)Cc1ccccc1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.578

CB1 binding score: -13.103

InChIKey:
PACBZLFXRZPYMQ-UHFFFAOYSA-N

ID: 71494

SMILES:
C1CCC(C(C)CCOC(=O)C)=C(c2c(OC)ccc(CCCCC)c2)OC1C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 402.575

CB1 binding score: -17.689

InChIKey:
AOZFKBDOCNNCOF-UHFFFAOYSA-N

ID: 71495

SMILES:
C(c1cc(O)c(O)c2c1OC(C)(C)C1C2CC(C)CC1)CCCC

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: -16.154

InChIKey:
HYXMZOMFKFKNFQ-UHFFFAOYSA-N

ID: 71496

SMILES:
COC(c1c(CCCCC)cc2c3c1OC(C)(C)C1C3C(C)(C)C2CC1C)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 384.56

CB1 binding score: -15.001

InChIKey:
DTLJCWDIUGQDOE-UHFFFAOYSA-N

ID: 71497

SMILES:
C(CO)c1c(C)c2c(cc1CO)OC(C)(C)C1CC(O)C(C)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.44

CB1 binding score: -13.821

InChIKey:
WXTWZXPVLYDMAY-UHFFFAOYSA-N

ID: 71498

SMILES:
C1(C(C)C)CC=C(C)C1c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.458

CB1 binding score: -15.745

InChIKey:
VDRLRSROIDBUKD-UHFFFAOYSA-N

ID: 71499

SMILES:
C1=C(C)CCC2C(C)(C)Oc3c(c(O)cc(CCCCC)c31)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -16.541

InChIKey:
KRJKKFUWKLYTHV-UHFFFAOYSA-N

ID: 71500

SMILES:
O=C(C(C)CCCCCCc1cc2c(c(OC)c1)C=CC(C)(CCC=C(C)C)O2)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 414.586

CB1 binding score: -12.648

InChIKey:
ZGJYMEOCOFLVJL-UHFFFAOYSA-N

ID: 71501

SMILES:
CC1(C)C2CCC(C)=CC2c2c(cc(CCCCC)c(C(=O)O)c2O)O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -19.351

InChIKey:
UCONUSSAWGCZMV-UHFFFAOYSA-N

ID: 71502

SMILES:
C1C=C(C)CCC12C(C)(C)Oc1cc(CC=C)cc(O)c12

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 284.399

CB1 binding score: -16.677

InChIKey:
NDOZAZIWBDLIOX-UHFFFAOYSA-N

ID: 71503

SMILES:
C(CCCC)c1cc(O)c2c(c1)OC(C)(C)C1CCC(CO)=CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.468

CB1 binding score: -19.121

InChIKey:
YCBKSSAWEUDACY-UHFFFAOYSA-N

ID: 71504

SMILES:
c1(CCC)c(O)c2c(c3c1cc(CCCCC)cc3O)OC(C)(C)C=C2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 354.49

CB1 binding score: -16.502

InChIKey:
WLZRXGLTBRMDHS-UHFFFAOYSA-N

ID: 71505

SMILES:
C(c1cc(O)c2c3c1OC(C)(C)C2CCC(C)=C3)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 286.415

CB1 binding score: -12.662

InChIKey:
VWFXVSWTEZMJSV-UHFFFAOYSA-N

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71485–71505 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