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trials · metas · refs
Plus 6,743 TCM formulas connecting herbs together
Subject Type: 🌿 Herbs ⚗️ Ingredients 📜 Formulas 🧬 Targets 🏥 Diseases
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⚗️ Ingredient

(-)-gossypol

Open on HERB 2.0 ↗
3
Clinical Trials
1
Meta-Analyses
0
PubMed References
Top Conditions Studied with (-)-gossypol
Adult Grade III Lymphomatoid Granulomatosis|Adult Nasal Type 1 Adult Giant Cell Glioblastoma|Adult Glioblastoma|Adult Glios 1 Various types of cancer, plant compound 1 Brain and Central Nervous System Tumors 1
📋 Sample Trials
NCT00891072
Gossypol, Paclitaxel, and Carboplatin in Treating Patients With Solid Tumors That Are Metastatic or Cannot Be Removed by Surgery
Completed · Phase 1
NCT00390403
Gossypol (AT-101) and Temozolomide With or Without Radiation Therapy in Treating Patients With Newly Diagnosed Glioblastoma Multiforme
Completed · Phase 1
NCT00540722
Gossypol in Treating Patients With Progressive or Recurrent Glioblastoma Multiforme
Completed · Phase 2
📊 Sample Meta-Analyses
CRD42021297142
Systematic Review of Gossypol / AT-101 in Cancer Clinical Trials
Various types of cancer, plant compound
📚 Sample References
None linked yet.
⚗️ All Ingredient data fields for (-)-gossypol
⚗️ Identity
Name
(-)-gossypol
Aliases / Synonyms
gossypol; 303-45-7; 90141-22-3; Pogosin; (+)-Gossypol; Tash 1; (R)-Gossypol; (R)-(-)-Gossypol; (+/-)-Gossypol
🧪 Chemistry
Molecular Weight
518.5620
LogP
6.3822
Drug-likeness
0.131
H-Bond Acceptors
8
H-Bond Donors
6
Rotatable Bonds
5
🔬 Structures
Canonical SMILES
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O
Isomeric SMILES
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O
InChIKey
QBKSWRVVCFFDOT-UHFFFAOYSA-N
InChI
InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
🔗 External References
HERB DB
HBIN028352 ↗
PubChem CID
3503 ↗
NPASS
NPC68441
HIT
C0112
TCMID
23094
🔍 Raw view — every non-empty column on this row (29 fields)
name
(-)-gossypol
common names
gossypol; 303-45-7; 90141-22-3; Pogosin; (+)-Gossypol; Tash 1; (R)-Gossypol; (R)-(-)-Gossypol; (+/-)-Gossypol
herb ingredient id
HBIN028352
canonical smiles
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O
isomeric smiles
CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O
inchi
InChI=1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
inchikey
QBKSWRVVCFFDOT-UHFFFAOYSA-N
mol wt
518.5620
num h acceptors
8
num h donors
6
mol logp
6.3822
num rotatable bonds
5
drug likeness
0.131
tcmid ingredient id
23094
pubchem cid
3503
npass id
NPC68441
hit id
C0112

📋 Clinical Trials

3 · subject of clinical study
NCT00891072 Gossypol, Paclitaxel, and Carboplatin in Treating Patients With Solid Tumors Tha
→ Adult Grade III Lymphomatoid Granulomatosis|Adult
NCT00390403 Gossypol (AT-101) and Temozolomide With or Without Radiation Therapy in Treating
→ Brain and Central Nervous System Tumors
NCT00540722 Gossypol in Treating Patients With Progressive or Recurrent Glioblastoma Multifo
→ Adult Giant Cell Glioblastoma|Adult Glioblastoma|A

📊 Meta-Analyses

1 · systematic review
CRD42021297142 Systematic Review of Gossypol / AT-101 in Cancer Clinical Trials
→ Various types of cancer, plant compound
How relationships are computed
  • Clinical Trials / Meta-Analyses / References: direct foreign-key link via subject_entity_id (Phase 2d wireup)
  • Formula ↔ Herbs: text bridge via formulas.herbs_in_pinyin matching herbs.pinyin_name
  • Herb ↔ Ingredient: empty — needs HERB_herb_ingredient import
  • Ingredient ↔ Target: empty — needs HERB_ingredient_target import
  • Target ↔ Disease: empty — needs HERB_target_disease import
  • Herb → Target → Disease (full chemical spine): awaiting Phase 2e link tables