Relationship Network
Interactive first-hop connections across herbs, ingredients, formulas, targets, diseases, symptoms, syndromes, evidence, and monographs.
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Ingredient: 1Target: 17Links: 24
Arranging relationship network...
Record Fields
Scalar fields from the final ingredient record.
- Ingredient Id
- 72671
- Core Entity Id
- 135320
- Source Entity Count
- 1
- Preferred Name
- Interleukin-8
- Name En
- Pubchem Id
- 74974005
- Smiles Canonical
- CC(C)CC(C(=O)NC(CC(=O)N)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(C(C)O)C(=O)NCC(=O)NC(CCSC)C(=O)N2CCCC2C(=O)N3CCCC3C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)NC(CO)C(=O)N5CCCC5C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CC6=CC=CC=C6)NC(=O)C(CC(=O)O)NC(=O)C(CC7=CNC8=CC=CC=C87)NC(=O)C(CCSC)NC(=O)C
- Molecular Formula
- C112H150N24O38S2
- Molecular Weight
- 2503.0000
- Inchikey
- XKTZWUACRZHVAN-UHFFFAOYSA-N
- Inchi
- InChI=1S/C112H150N24O38S2/c1-55(2)41-69(122-103(165)77(49-89(149)150)131-106(168)79(51-91(153)154)129-98(160)70(42-59-19-10-8-11-20-59)123-105(167)78(50-90(151)152)130-100(162)73(45-62-52-115-65-24-15-14-23-64(62)65)126-96(158)67(34-39-175-6)118-58(5)139)97(159)127-74(46-84(113)141)101(163)125-72(43-60-21-12-9-13-22-60)107(169)133-92(57(4)138)109(171)116-53-85(142)119-68(35-40-176-7)110(172)136-38-18-27-83(136)112(174)135-37-17-26-82(135)108(170)117-56(3)94(156)121-75(47-87(145)146)102(164)120-66(32-33-86(143)144)95(157)128-76(48-88(147)148)104(166)124-71(44-61-28-30-63(140)31-29-61)99(161)132-80(54-137)111(173)134-36-16-25-81(134)93(114)155/h8-15,19-24,28-31,52,55-57,66-83,92,115,137-138,140H,16-18,25-27,32-51,53-54H2,1-7H3,(H2,113,141)(H2,114,155)(H,116,171)(H,117,170)(H,118,139)(H,119,142)(H,120,164)(H,121,156)(H,122,165)(H,123,167)(H,124,166)(H,125,163)(H,126,158)(H,127,159)(H,128,157)(H,129,160)(H,130,162)(H,131,168)(H,132,161)(H,133,169)(H,143,144)(H,145,146)(H,147,148)(H,149,150)(H,151,152)(H,153,154)
- Isomeric Smiles
- Cas Id
- Ob Score
- Mol Logp
- -5.0000
- Num H Donors
- 30
- Num H Acceptors
- 40
- Num Rotatable Bonds
- 72
- Drug Likeness
- Polar Surface Area
- 1020.0000
- Molecular Volume
- Alogp
Names
Preferred names, aliases, and source labels retained in the final schema.
Name
Interleukin-8
Role
preferred
Source
ETCM_v2
Preferred
Yes
Cross References
Trusted external identifiers retained for this final record.
Etcm Ingredient
Interleukin-8
Itcmdb Generated
ITX-INGREDIENT-48ACC0C48587
Attributes
Merged source attributes and domain-specific metadata.
Molecular Weight
2503.000
Molecular Formula
C112H150N24O38S2
Fda Maximum Daily Dose (Fdamdd)
0.058
Quantitative Estimate Of Drug Likeness（Qed）
0.017