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Molecule Identifiers
Molecular Properties

ID: 114703

SMILES:
c1(CCCCC)cc(O)c2c(c1)OC(C)(C)C1=C2CC(C)=CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 312.453

CB1 binding score: -17.871

InChIKey:
HLOAIJZUTIQFKA-UHFFFAOYSA-N

ID: 114704

SMILES:
C(C)CCCc1cc(O)c2c(c1)OC(C)(C)c1ccc(C)cc1-2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 310.437

CB1 binding score: -19.554

InChIKey:
VBGLYOIFKLUMQG-UHFFFAOYSA-N

ID: 114705

SMILES:
c1(O)cc(CCCCC)cc2c1C1C(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: 114706

SMILES:
CC1(C)Oc2c(c(O)c(OC)cc2CCCCC)CC1O

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 294.391

CB1 binding score: -18.051

InChIKey:
DERXBPBRVDHIRR-UHFFFAOYSA-N

ID: 114707

SMILES:
C(Cc1cc(O)c2c(c1)OC(C)(C)C1CCC(C)=CC12)CCC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

ID: 114708

SMILES:
Oc1c(OC)c(C)c(C2C(C(=C)C)CCC(C)=C2)c(CCCCC)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 342.523

CB1 binding score: -14.083

InChIKey:
HLLJDLHAOOANGT-UHFFFAOYSA-N

ID: 114709

SMILES:
C1C(C)=CC(c2c(O)cc(CCCCC)cc2OC)C(C(C)C)=C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.496

CB1 binding score: -16.949

InChIKey:
FZEZRVFOAQSQNI-UHFFFAOYSA-N

ID: 114710

SMILES:
C(C)CCc1c(O)c2c(c(O)c1)OC13C(O)OC(C)(C)C1CCC(O)(C2)C3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 378.465

CB1 binding score: -16.502

InChIKey:
NRADOUACGKFJOU-UHFFFAOYSA-N

ID: 114711

SMILES:
C1(=O)C=C(COC2C(O)C(O)C(O)C(CO)O2)C2C(C(C(C)=C)C1)c1c(cc(CCCCC)cc1O)O2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 518.603

CB1 binding score: Not available

InChIKey:
RWEXJLFXKFKPFH-UHFFFAOYSA-N

ID: 114712

SMILES:
C1=CC(C)(C)Oc2c1c(O)cc(CCC)c2

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 218.296

CB1 binding score: -17.978

InChIKey:
CHBXMMKWGIOKEK-UHFFFAOYSA-N

ID: 114713

SMILES:
CC(C)C12C(O)(CC(C)=CC1)c1c(cc(CCCCC)cc1O)OC2OC

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 374.521

CB1 binding score: -15.636

InChIKey:
JISPYPIUUWDPEF-UHFFFAOYSA-N

ID: 114714

SMILES:
C(O)CCc1cc(O)c(C2C=C(C)CCC2C(C)=C)c(O)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 302.414

CB1 binding score: -17.634

InChIKey:
XATUYSLLQMJNDN-UHFFFAOYSA-N

ID: 114715

SMILES:
C1CC(C(=C)C)C(c2cc(CCc3ccccc3)cc(OC)c2O)C=C1C

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 362.513

CB1 binding score: -16.504

InChIKey:
DRLRTEJBBNJNND-UHFFFAOYSA-N

ID: 114716

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

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 272.388

CB1 binding score: -15.314

InChIKey:
NDSQDCXKWLBYTR-UHFFFAOYSA-N

ID: 114717

SMILES:
C1(c2c(O)cc(CCCCC)cc2O)C(C(C)C)CCC(OC)(C)C1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 348.527

CB1 binding score: -15.095

InChIKey:
ALODGORUJJAOSX-UHFFFAOYSA-N

ID: 114718

SMILES:
c1(OC)cc2c(c3c1)C(=O)C1=C(OC(C)(C)C4CCC(C)=CC41)C2O3

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 338.403

CB1 binding score: -15.418

InChIKey:
CCSPEKSJDKDEPY-UHFFFAOYSA-N

ID: 114719

SMILES:
CC(=O)CCC1C(CC=C=C)Oc2cc(CCCCC)cc(O)c21

Pathway: Polyketides

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 328.452

CB1 binding score: -12.523

InChIKey:
XIZOWXBBSRUIAE-UHFFFAOYSA-N

ID: 114720

SMILES:
C1(=O)C2(O)C3C(C)(c4ccc(C(C)(OC(C)=O)C)cc4OC(C)(C)C23)CC1

Pathway: Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 372.461

CB1 binding score: -15.958

InChIKey:
ATAXFSPYGLVBOM-UHFFFAOYSA-N

ID: 114721

SMILES:
Oc1c(C2C(C(=C)C)CC=C(C)C2)c(O)cc(C)c1

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 258.361

CB1 binding score: -18.334

InChIKey:
OCTQIDRSDSFRBW-UHFFFAOYSA-N

ID: 114722

SMILES:
C(c1cc(O)c2c(c1)OC(C)(C)C1CC(O)C(C)=CC21)C(=O)O

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 318.369

CB1 binding score: -14.494

InChIKey:
GBDGCUMQAPHLPU-UHFFFAOYSA-N

ID: 114723

SMILES:
C12C(C)(C)Oc3cc(CCCCC)cc(O)c3C1C=C(C)CC2

Pathway: Polyketides;Terpenoids

Superclass: Meroterpenoids

Class: Cannabinoids

MW: 314.469

CB1 binding score: -20.604

InChIKey:
CYQFCXCEBYINGO-UHFFFAOYSA-N

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114703–114723 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