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Molecule Identifiers
Molecular Properties

ID: 35659

SMILES:
C12c3c(O)cc(CCCCC)cc3OC(C1(C)C)CC(O)(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 332.484

CB1 binding score: Not available

InChIKey:
RLCJRBSOBNIKAZ-UHFFFAOYSA-N

ID: 35660

SMILES:
CC(C1CCC2(C)Oc3c(c(O)cc(CCCCC)c3)C2C1=O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 398.587

CB1 binding score: -15.549

InChIKey:
WSGRQGQNEQSNCG-UHFFFAOYSA-N

ID: 35661

SMILES:
Oc1c2c(cc(O)c1)C1CC(=C)C(O)CC1C(C)(C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 276.332

CB1 binding score: -14.541

InChIKey:
ORRWLQCCVRGUST-UHFFFAOYSA-N

ID: 35662

SMILES:
COc1cc(CCCCC)cc2c1OC(CCC=C(C)C)(C)C(O)C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.511

CB1 binding score: -16.885

InChIKey:
RCKDZPBBVOKEAF-UHFFFAOYSA-N

ID: 35663

SMILES:
CC1(C)Oc2c(c(O)cc(CCCCC)c2)C2C1CCC(C)=C2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 35664

SMILES:
C1=CC2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C2OC(=O)C(=C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 368.473

CB1 binding score: -14.185

InChIKey:
NOUZZKVDLZEMKK-UHFFFAOYSA-N

ID: 35665

SMILES:
CC1CC2c3c(cc(C)cc3O)OC(C)(C)C2CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 260.377

CB1 binding score: -18.804

InChIKey:
NJEVKSYKELTXNY-UHFFFAOYSA-N

ID: 35666

SMILES:
CCC(OCCc1cc2c(cc1O)OC(C)(C)C1CCC(C)=CC21)=O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.451

CB1 binding score: -16.824

InChIKey:
MBIYQGJQOBFGKA-UHFFFAOYSA-N

ID: 35667

SMILES:
C1C(C)C(C)(CCC(C)=CCC2CCC(CCc3ccccc3)CC2=O)Oc2c1c(O)cc(CCCCC)c2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 530.793

CB1 binding score: -14.364

InChIKey:
XPRNZDGWKNJPBP-UHFFFAOYSA-N

ID: 35668

SMILES:
O=C(S)Oc1c2c(cc(CCCC)c1)OC(C)(C)C1CCC(C)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.519

CB1 binding score: -12.686

InChIKey:
GGADJNVXIQCACQ-UHFFFAOYSA-N

ID: 35669

SMILES:
CCCCc1cc(O)c2c(c1)OC(C)(C)C1CCC(C(=O)O)=CC12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 330.424

CB1 binding score: -17.51

InChIKey:
LVQZQKXEEYFSQO-UHFFFAOYSA-N

ID: 35670

SMILES:
C1=C2C(C34C(C)(CC2O)OC(C)(C)C(O)C3C(C)C=C4)C(C)(C)OC1=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.466

CB1 binding score: -16.127

InChIKey:
AVXFOVRFFOPMIG-UHFFFAOYSA-N

ID: 35671

SMILES:
c1(CCCCCC)cc2c(c(OC)c1)CC=C(C)CC2

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.432

CB1 binding score: -16.502

InChIKey:
HCMZJFOXTHSYMV-UHFFFAOYSA-N

ID: 35672

SMILES:
c1(O)c2c(cc(CCCCC)c1)OC(C)(C)C1CC=C(C)CC21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.121

InChIKey:
HCAWPGARWVBULJ-UHFFFAOYSA-N

ID: 35673

SMILES:
C12(C)CC3c4c(O)cc(CCCCC)cc4OC(C)(C)C3CC1C2C(O)CC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.483

InChIKey:
AOAVSDRAHAXECD-UHFFFAOYSA-N

ID: 35674

SMILES:
C12(c3c(cc(CCCCC)cc3O)OC1(C)C)C(O)C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.457

CB1 binding score: -12.053

InChIKey:
PZYQMDMGCYCORG-UHFFFAOYSA-N

ID: 35675

SMILES:
c12cc(CCCCC)cc(OC3OC(CO)C(O)C(O)C3O)c1OC(C)(C)C1CCC(C)C21

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 464.599

CB1 binding score: -5.568

InChIKey:
DSKXBPWJXGIOCF-UHFFFAOYSA-N

ID: 35676

SMILES:
c1(O)cc2c(c3c1COC3c1c(C)c(CC)ccc1C)OC(C)(C)C1C2C=C(C)CC1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 418.577

CB1 binding score: -13.74

InChIKey:
OTPUFZSOUHTCLJ-UHFFFAOYSA-N

ID: 35677

SMILES:
C(C(C)=Cc1c(O)c(C(O)=O)c(CCCCC)cc1O)CC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 346.467

CB1 binding score: -16.149

InChIKey:
MHVMRYHUEBETJU-UHFFFAOYSA-N

ID: 35678

SMILES:
C(C)(C)(C1Oc2c(c(O)cc(CCCCCO)c2)-c2cc(O)cc(CCC(OC)=O)c21)C

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.552

CB1 binding score: -15.367

InChIKey:
QMYWHKHTLYNQJS-UHFFFAOYSA-N

ID: 35679

SMILES:
C(CCc1cc(OC)c(C2C(C(=C)C)CCC(C)=C2)c(O)c1)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -18.077

InChIKey:
ZIKXLTXYADKTKX-UHFFFAOYSA-N

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35659–35679 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