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Molecule Identifiers
Molecular Properties

ID: 142297

SMILES:
c1(OC)c(OC(=O)CCC)c(C2C=C(C)CCC2C(C)=C)c(O)cc1C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -15.571

InChIKey:
WECDTQCAOYGIHA-UHFFFAOYSA-N

ID: 142298

SMILES:
C1C(C)(C)C(C2(C)C3(C)OC3CC2C)c2c(OC)cc(CCCCC)cc2O1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 386.576

CB1 binding score: -16.502

InChIKey:
HNVWQDHNHCHPTE-UHFFFAOYSA-N

ID: 142299

SMILES:
C1C(C)CCC(C(C)=C)C1c1c(O)cc(CCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 288.431

CB1 binding score: -19.57

InChIKey:
LURPWARMGYBTPS-UHFFFAOYSA-N

ID: 142300

SMILES:
COC(c1cc2c(cc1)OC(C)(C)C1CCC(C)=CC12)C(O)C(C)C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -13.522

InChIKey:
AMVRCBQQOHUQKW-UHFFFAOYSA-N

ID: 142301

SMILES:
C1(O)C(=C)C(OC)C2C(C(C)(C)Oc3cc(CCCCC)cc(O)c32)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 360.494

CB1 binding score: -14.046

InChIKey:
SVZVPAJZTWQTCG-UHFFFAOYSA-N

ID: 142302

SMILES:
c1c(CC(CCC=C(C)C)C)cc(OC)c(O)c1-c1c(O)cc(C)cc1OC(C)=O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 412.526

CB1 binding score: -15.43

InChIKey:
OBGOFATWDFXBAI-UHFFFAOYSA-N

ID: 142303

SMILES:
C(C=C(C)CCC=C(C)C)c1c(O)cc(CCCCC)cc1O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 142304

SMILES:
C12C(C3C(C)(CC1)CCCC3=O)C(C)(C)Oc1cc(CCCCCCCCC)cc(OC(=O)C)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 482.705

CB1 binding score: Not available

InChIKey:
SGICIMSOJPINQV-UHFFFAOYSA-N

ID: 142305

SMILES:
CC(=C)c1cc(C2C=C(C)CCC2C(C)=C)c(O)cc1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 268.4

CB1 binding score: -18.309

InChIKey:
SNJQUWQZQUUFGP-UHFFFAOYSA-N

ID: 142306

SMILES:
C(CCC)Cc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -21.427

InChIKey:
QHMBSVQNZZTUGM-UHFFFAOYSA-N

ID: 142307

SMILES:
COc1cc(CCCCC)cc2c1C1OC(O)C23C(C=C(C)C)OC13C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 358.478

CB1 binding score: -14.313

InChIKey:
FLFOGHMETFUMFV-UHFFFAOYSA-N

ID: 142308

SMILES:
C(CCC1(O)C(C)CC(O)CC1(C)C)(C)=CCc1c(O)cc(CCC)cc1O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 390.564

CB1 binding score: -16.502

InChIKey:
SZHDDPTYFOISSP-UHFFFAOYSA-N

ID: 142309

SMILES:
C1(Oc2c(CC=C(C)C)c(O)cc(CCCCC)c2)CC(CO)=CCC1C(CO)(C)O

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 432.601

CB1 binding score: -15.568

InChIKey:
FWNZRJODHDNYJD-UHFFFAOYSA-N

ID: 142310

SMILES:
O(CCCC)C(c1cc(O)c2c(c1)OC(C)(C)C1C2CC(C)=CC1)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 344.495

CB1 binding score: -18.553

InChIKey:
YVMXYKXIQHTSDK-UHFFFAOYSA-N

ID: 142311

SMILES:
OC1(C(C)C)C2C3OC(c4ccccc4)CC3(C(C)CC1)c1c(cc(CCCCC)cc1OC(=O)C)O2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 506.683

CB1 binding score: -16.343

InChIKey:
JQATZADROUUIQT-UHFFFAOYSA-N

ID: 142312

SMILES:
c1(OCCCCCCCCCCC(C)C)cc(C2C(C(C)C)CCC(C)=C2)c(O)cc1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 442.728

CB1 binding score: -12.928

InChIKey:
JYMFKUNAEHOSQJ-UHFFFAOYSA-N

ID: 142313

SMILES:
CC(=CCc1c(O)cc(CCCCC)cc1O)CCC=C(C)C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -19.666

InChIKey:
QXACEHWTBCFNSA-UHFFFAOYSA-N

ID: 142314

SMILES:
C1(C(CO)C)CCC(C)=CC1c1cc(CCCCC)cc(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 316.485

CB1 binding score: -16.876

InChIKey:
UYBMAINSVKFFGB-UHFFFAOYSA-N

ID: 142315

SMILES:
C12CC3CC1(C(OC=O)CC2(C)C)Oc1cc(CCCCC)cc(OC)c13

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.505

CB1 binding score: -14.241

InChIKey:
VOPIPFRINXCSLH-UHFFFAOYSA-N

ID: 142316

SMILES:
C1(C)=CCC2C(C1)C(C)(C)Oc1cc(CCCCC)cc(O)c12

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -19.485

InChIKey:
UOLFVTXVWQDBHF-UHFFFAOYSA-N

ID: 142317

SMILES:
Oc1cc(O)cc(C)c1C1C=C(C)CCC1C(C)=C

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.798

InChIKey:
KDZOUSULXZNDJH-UHFFFAOYSA-N

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142297–142317 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