Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 6Links: 12
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 71170
- Core Entity Id
- 133819
- Source Entity Count
- 1
- Preferred Name
- Cyclin D1
- Name En
- Pubchem Id
- 72998476
- Smiles Canonical
- CC(C)CC(C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(C)C(=O)NC(C(C)O)C(=O)NC(CS)C(=O)NC(CCSC)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)C)C(=O)O)N
- Molecular Formula
- C43H71N9O11S2
- Molecular Weight
- 953.4700
- Inchikey
- KQNLWNLMABECAI-UHFFFAOYSA-N
- Inchi
- InChI=1S/C43H71N9O11S2/c1-22(2)17-28(44)37(56)48-30(18-23(3)4)38(57)45-20-33(54)46-25(7)36(55)52-35(26(8)53)42(61)50-32(21-64)41(60)47-29(15-16-65-9)39(58)49-31(19-27-13-11-10-12-14-27)40(59)51-34(24(5)6)43(62)63/h10-14,22-26,28-32,34-35,53,64H,15-21,44H2,1-9H3,(H,45,57)(H,46,54)(H,47,60)(H,48,56)(H,49,58)(H,50,61)(H,51,59)(H,52,55)(H,62,63)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -0.3000
- Num H Donors
- 12
- Num H Acceptors
- 14
- Num Rotatable Bonds
- 29
- Drug Likeness
- Polar Surface Area
- 343.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Cyclin D1
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Cyclin D1
Itcmdb Generated
ITX-INGREDIENT-943860ABCB45
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
953.470
Molecular Formula
C43H71N9O11S2
Fda Maximum Daily Dose (Fdamdd)
0.004
Quantitative Estimate Of Drug Likeness（Qed）
0.043